2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide

C16H13N3O2 — CID 171333357

IUPAC2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide
SMILESCc1cc(NC(=O)C(C#N)=CC=Cc2ccccc2)no1
InChIInChI=1S/C16H13N3O2/c1-12-10-15(19-21-12)18-16(20)14(11-17)9-5-8-13-6-3-2-4-7-13/h2-10H,1H3,(H,18,19,20)
InChIKeyVWZHANYTLZVEFW-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.08
Rot. Bonds4

About 2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide

2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide (PubChem CID 171333357) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide
PubChem CID171333357
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide
SMILESCc1cc(NC(=O)C(C#N)=CC=Cc2ccccc2)no1
InChIInChI=1S/C16H13N3O2/c1-12-10-15(19-21-12)18-16(20)14(11-17)9-5-8-13-6-3-2-4-7-13/h2-10H,1H3,(H,18,19,20)
InChIKeyVWZHANYTLZVEFW-UHFFFAOYSA-N
XLogP3.08
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-5-phenylpenta-2,4-dienamide
CID 126392520
(Z)-2-cyano-3-(5-methylfuran-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 170916723
(2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide
CID 6106364
[2-bromo-4-[(Z)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxoprop-1-enyl]phenyl] benzoate
CID 170917091
(2Z,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
CID 2343498
(Z)-N-(4-acetamidophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108818643
N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]-3-phenylprop-2-enamide
CID 4108258
(Z)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857142
(Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108821073
(Z)-2-cyano-3-[4-[3-(2,6-dimethylphenoxy)propoxy]phenyl]-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 170916513
(Z)-3-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 170917863
(E)-2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 51048705

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide?
The IUPAC name of 2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide (CID 171333357) is 2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for 2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide?
The canonical SMILES for 2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide is Cc1cc(NC(=O)C(C#N)=CC=Cc2ccccc2)no1.
What is the InChIKey of 2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide?
The InChIKey is VWZHANYTLZVEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-12-10-15(19-21-12)18-16(20)14(11-17)9-5-8-13-6-3-2-4-7-13/h2-10H,1H3,(H,18,19,20).
What are the key properties of 2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide?
2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide has a molecular weight of 279.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 171333357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).