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

C19H15N3O2 — CID 56529985

IUPAC4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3ccc(C#N)cc3)on2)cc1
InChIInChI=1S/C19H15N3O2/c1-2-13-3-7-15(8-4-13)17-11-18(24-22-17)21-19(23)16-9-5-14(12-20)6-10-16/h3-11H,2H2,1H3,(H,21,23)
InChIKeyADYKSALSMPODRY-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.03
Rot. Bonds4

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

4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide (PubChem CID 56529985) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
PubChem CID56529985
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3ccc(C#N)cc3)on2)cc1
InChIInChI=1S/C19H15N3O2/c1-2-13-3-7-15(8-4-13)17-11-18(24-22-17)21-19(23)16-9-5-14(12-20)6-10-16/h3-11H,2H2,1H3,(H,21,23)
InChIKeyADYKSALSMPODRY-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

3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56569907
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
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-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide
CID 17014685
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806
N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 56544921
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 56544885
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide
CID 17014692
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 56544924
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 56569903

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of 4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide (CID 56529985) is 4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for 4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide is CCc1ccc(-c2cc(NC(=O)c3ccc(C#N)cc3)on2)cc1.
What is the InChIKey of 4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is ADYKSALSMPODRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-13-3-7-15(8-4-13)17-11-18(24-22-17)21-19(23)16-9-5-14(12-20)6-10-16/h3-11H,2H2,1H3,(H,21,23).
What are the key properties of 4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide?
4-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 4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 56529985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).