5-phenyl-1,2-oxazole-3-carboxamide

C10H8N2O2 — CID 541773

IUPAC5-phenyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C10H8N2O2/c11-10(13)8-6-9(14-12-8)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
InChIKeyASVXNFGUPSDDTA-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.44
Rot. Bonds2

About 5-phenyl-1,2-oxazole-3-carboxamide

5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 541773) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID541773
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name5-phenyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C10H8N2O2/c11-10(13)8-6-9(14-12-8)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
InChIKeyASVXNFGUPSDDTA-UHFFFAOYSA-N
XLogP1.44
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Isocarboxazid
CID 3759
3,5-Diphenylisoxazole
CID 137292
3,5-Dimethyl-4-phenylisoxazole
CID 5325760
3-Methyl-4-phenylisoxazol-5-amine
CID 1382046
(5-Phenyl-1,2-oxazol-3-yl)methanol
CID 1481082
3-Methyl-5-phenylisoxazole
CID 136804
5-Phenyl-3-isoxazolecarboxylic acid
CID 151916
3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carboxamide
CID 2744827
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one
CID 28482
5-Amino-3-phenylisoxazole
CID 261201
Methyl 5-phenyl-1,2-oxazole-3-carboxylate
CID 905953

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-1,2-oxazole-3-carboxamide (CID 541773) is 5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-1,2-oxazole-3-carboxamide is NC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ASVXNFGUPSDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-10(13)8-6-9(14-12-8)7-4-2-1-3-5-7/h1-6H,(H2,11,13).
What are the key properties of 5-phenyl-1,2-oxazole-3-carboxamide?
5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 188.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 541773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).