N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide

C11H8ClFN2O2 — CID 86768677

IUPACN-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8ClFN2O2/c1-6-5-14-17-10(6)11(16)15-7-2-3-9(13)8(12)4-7/h2-5H,1H3,(H,15,16)
InChIKeyGWDPRSQANLPPTD-UHFFFAOYSA-N
MW254.65 g/mol
LogP3.03
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide

N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 86768677) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID86768677
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8ClFN2O2/c1-6-5-14-17-10(6)11(16)15-7-2-3-9(13)8(12)4-7/h2-5H,1H3,(H,15,16)
InChIKeyGWDPRSQANLPPTD-UHFFFAOYSA-N
XLogP3.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336452
N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110860667
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335876
N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335719
4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66334329
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110859594
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 86768677) is N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is GWDPRSQANLPPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-6-5-14-17-10(6)11(16)15-7-2-3-9(13)8(12)4-7/h2-5H,1H3,(H,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 254.65 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 86768677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).