3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide

C12H9N3O2 — CID 24709345

IUPAC3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C#N)c2)on1
InChIInChI=1S/C12H9N3O2/c1-8-5-11(17-15-8)14-12(16)10-4-2-3-9(6-10)7-13/h2-6H,1H3,(H,14,16)
InChIKeyNXOBPAWXRPKXMK-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.11
Rot. Bonds2

About 3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide

3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 24709345) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID24709345
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C#N)c2)on1
InChIInChI=1S/C12H9N3O2/c1-8-5-11(17-15-8)14-12(16)10-4-2-3-9(6-10)7-13/h2-6H,1H3,(H,14,16)
InChIKeyNXOBPAWXRPKXMK-UHFFFAOYSA-N
XLogP2.11
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 110370348
2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 3076186
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 108797463
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636
3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 103841842
methyl 5-[(3-cyanobenzoyl)amino]thiophene-3-carboxylate
CID 71969727
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761
3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302755

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide (CID 24709345) is 3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide is Cc1cc(NC(=O)c2cccc(C#N)c2)on1.
What is the InChIKey of 3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is NXOBPAWXRPKXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-8-5-11(17-15-8)14-12(16)10-4-2-3-9(6-10)7-13/h2-6H,1H3,(H,14,16).
What are the key properties of 3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 227.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 24709345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).