5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide

C10H7ClN2O2 — CID 2739761

IUPAC5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C10H7ClN2O2/c11-7-3-1-2-6(4-7)9-8(10(12)14)13-5-15-9/h1-5H,(H2,12,14)
InChIKeyOPFNLGUCNOXTII-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.09
Rot. Bonds2

About 5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide

5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 2739761) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID2739761
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C10H7ClN2O2/c11-7-3-1-2-6(4-7)9-8(10(12)14)13-5-15-9/h1-5H,(H2,12,14)
InChIKeyOPFNLGUCNOXTII-UHFFFAOYSA-N
XLogP2.09
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 123160413
5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 3232315
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963781
5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 2739751
5-(3-chlorophenyl)-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide
CID 92711313
5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963803
5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963785
N-(3-chloro-4-cyanophenyl)-5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3232312
4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole
CID 79154021
[4-(3-chlorophenyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 11360631
tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid
CID 70365322
N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963631

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide (CID 2739761) is 5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide is NC(=O)c1ncoc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OPFNLGUCNOXTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-3-1-2-6(4-7)9-8(10(12)14)13-5-15-9/h1-5H,(H2,12,14).
What are the key properties of 5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide?
5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 222.63 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2739761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).