3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide

C19H15N3O2 — CID 56530069

IUPAC3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cccc(C#N)c3)on2)cc1
InChIInChI=1S/C19H15N3O2/c1-2-13-6-8-15(9-7-13)17-11-18(24-22-17)21-19(23)16-5-3-4-14(10-16)12-20/h3-11H,2H2,1H3,(H,21,23)
InChIKeyQSFKZYVAAMQHLR-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.03
Rot. Bonds4

About 3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide

3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide (PubChem CID 56530069) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
PubChem CID56530069
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cccc(C#N)c3)on2)cc1
InChIInChI=1S/C19H15N3O2/c1-2-13-6-8-15(9-7-13)17-11-18(24-22-17)21-19(23)16-5-3-4-14(10-16)12-20/h3-11H,2H2,1H3,(H,21,23)
InChIKeyQSFKZYVAAMQHLR-UHFFFAOYSA-N
XLogP4.03
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 56544885
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 56529971
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56569907
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 56529969
4-amino-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-nitrobenzamide
CID 56544763
methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate
CID 56570036
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 56544921

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of 3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide (CID 56530069) is 3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide is CCc1ccc(-c2cc(NC(=O)c3cccc(C#N)c3)on2)cc1.
What is the InChIKey of 3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is QSFKZYVAAMQHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-13-6-8-15(9-7-13)17-11-18(24-22-17)21-19(23)16-5-3-4-14(10-16)12-20/h3-11H,2H2,1H3,(H,21,23).
What are the key properties of 3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide?
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide has a molecular weight of 317.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 56530069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).