4-cyano-N-(1,2-oxazol-3-yl)benzamide

C11H7N3O2 — CID 60660035

IUPAC4-cyano-N-(1,2-oxazol-3-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccon2)cc1
InChIInChI=1S/C11H7N3O2/c12-7-8-1-3-9(4-2-8)11(15)13-10-5-6-16-14-10/h1-6H,(H,13,14,15)
InChIKeyQLFRQOVPBXSJHH-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.80
Rot. Bonds2

About 4-cyano-N-(1,2-oxazol-3-yl)benzamide

4-cyano-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 60660035) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-cyano-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(1,2-oxazol-3-yl)benzamide
PubChem CID60660035
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name4-cyano-N-(1,2-oxazol-3-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccon2)cc1
InChIInChI=1S/C11H7N3O2/c12-7-8-1-3-9(4-2-8)11(15)13-10-5-6-16-14-10/h1-6H,(H,13,14,15)
InChIKeyQLFRQOVPBXSJHH-UHFFFAOYSA-N
XLogP1.80
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-(1,2-oxazol-3-yl)benzamide
CID 25236391
6-(methylamino)-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62903794
5-(1,2-oxazol-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 62904120
N-(6-chloropyrazin-2-yl)-4-cyanobenzamide
CID 115599289
4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62903600
1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811788
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 14593012
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
4-fluoro-N-(1,2-oxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 55131451
N-(1,2-oxazol-3-yl)-1H-indole-6-carboxamide
CID 63768269
3-hydroxy-4-methoxy-N-(1,2-oxazol-3-yl)benzamide
CID 79725967

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-cyano-N-(1,2-oxazol-3-yl)benzamide (CID 60660035) is 4-cyano-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-cyano-N-(1,2-oxazol-3-yl)benzamide is N#Cc1ccc(C(=O)Nc2ccon2)cc1.
What is the InChIKey of 4-cyano-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is QLFRQOVPBXSJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c12-7-8-1-3-9(4-2-8)11(15)13-10-5-6-16-14-10/h1-6H,(H,13,14,15).
What are the key properties of 4-cyano-N-(1,2-oxazol-3-yl)benzamide?
4-cyano-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 213.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 60660035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).