N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazol-2-yl)formamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide

Basic Information

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CAS Number

518048-05-0

Molecular Formula

C20H21FN6O5

Molecular Weight

444.42 g/mol

EINECS

610-733-3

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

White to Light Beige

Melting Point

216 °C(Solv: isopropanol (67-63-0))

Boiling Point

No data available

Density

1.46±0.1 g/cm3(Predicted)

Flash Point

No data available

Solubility

DMSO (Slightly), Methanol (Very Slightly)

Refractive Index

1.65

Vapor Pressure

No data available

SMILES

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CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)

InChIKey

CZFFBEXEKNGXKS-UHFFFAOYSA-N

LogP

0.9115199999999997

pKa

4.50±1.00(Predicted)

Topological Polar Surface Area

152.23999999999998 Å²

Hydrogen Bond Donor/Acceptor

3 / 11

Complexity

836

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazol-2-yl)formamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}propan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Tox21_113019_1
DTXSID2048660
DTXCID5028586
AC-5261
AB01566833_01
MK-0518
N-(2-(4-(4-Fluorobenzylcarbamoyl)-5-OH-1-Me-6-oxo-pyrimidin-2-yl)propan-2-yl)-5-Me-1,3,4-oxadiazole-2-carboxamide
GTPL11571
MFCD10698872
SMR003601806
22VKV8053U
NSC-762522
HSDB 8124
UNII-22VKV8053U
CCG-269170
A828788
Z1532717445
RALTEGRAVIR [INN]
Q421552
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di
CHEMBL254316
Tox21_113019
N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
N-(2-(4-((4-fluorobenzyl)carbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Isentress
RALTEGRAVIR [MI]
AKOS015902444
AKOS032960305

MDL Number

MFCD10698872

EC Number

610-733-3

FAQ

What regulatory guidelines apply to N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazol-2-yl)formamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide (CAS: 518048-05-0)?

This compound must comply with various regulatory guidelines, including GHS classification for hazardous chemicals, REACH regulations for European manufacturers and importers, and FDA/EPA requirements for safety and environmental protection. It is important to consult the latest regulatory documents for specific requirements and to ensure proper handling and disposal.

Are there alternatives to N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazol-2-yl)formamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide (CAS: 518048-05-0) in synthesis?

While there are no exact chemical analogs, researchers often explore alternative reagents such as related oxadiazole derivatives or other amide-forming agents. These alternatives can provide similar functionalities but with different structural characteristics, thereby offering flexibility in synthetic routes.

What is the market or research trend for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazol-2-yl)formamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide (CAS: 518048-05-0)?

Market trends for this compound suggest growing interest in its potential applications in pharmaceuticals and agriculture, driven by its unique chemical properties. Research is focusing on its biological activity and development of new formulations. However, the demand varies based on specific industries and emerging technologies.

How should waste containing N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazol-2-yl)formamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide (CAS: 518048-05-0) be handled?

Waste containing this compound should be collected and disposed of in accordance with local and international regulations. Proper incineration or professional waste disposal services are recommended, ensuring that all environmental protection precautions are taken to minimize ecological impact. Consult local authorities for specific disposal guidelines.