2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide

C23H15N3O2 — CID 4709558

IUPAC2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide
SMILESN#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H15N3O2/c24-15-18(23(27)25-19-9-5-2-6-10-19)13-16-11-12-21-20(14-16)22(28-26-21)17-7-3-1-4-8-17/h1-14H,(H,25,27)
InChIKeyUHMCTZVIPWPUBM-UHFFFAOYSA-N
MW365.39 g/mol
LogP5.04
Rot. Bonds4

About 2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide

2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide (PubChem CID 4709558) has the molecular formula C23H15N3O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide
PubChem CID4709558
Molecular FormulaC23H15N3O2
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC Name2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide
SMILESN#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H15N3O2/c24-15-18(23(27)25-19-9-5-2-6-10-19)13-16-11-12-21-20(14-16)22(28-26-21)17-7-3-1-4-8-17/h1-14H,(H,25,27)
InChIKeyUHMCTZVIPWPUBM-UHFFFAOYSA-N
XLogP5.04
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 55.04
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'}

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Related Compounds

(E)-2-cyano-N-(3-methoxyphenyl)-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide
CID 18863326
2-cyano-N-(3-nitrophenyl)-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide
CID 4709563
2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)-N-prop-2-enylprop-2-enamide
CID 4710345
(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide
CID 6197597
(E)-3-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 18863299
(E)-3-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-2-cyano-N-naphthalen-2-ylprop-2-enamide
CID 18863807
(E)-2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)-N-(1-phenylethyl)prop-2-enamide
CID 6196888
2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide
CID 4710349
2-cyano-3-(3-fluorophenyl)-N-phenylprop-2-enamide
CID 4136731
3-[[(Z)-2-cyano-3-(4-phenylphenyl)prop-2-enoyl]amino]benzoic acid
CID 124550712
(E)-3-(3-bromophenyl)-2-cyano-N-phenylprop-2-enamide
CID 27114866
2-(3,4-dimethoxyphenyl)-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile
CID 4709574

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide?
The IUPAC name of 2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide (CID 4709558) is 2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide is N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide?
The InChIKey is UHMCTZVIPWPUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2/c24-15-18(23(27)25-19-9-5-2-6-10-19)13-16-11-12-21-20(14-16)22(28-26-21)17-7-3-1-4-8-17/h1-14H,(H,25,27).
What are the key properties of 2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide?
2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide has a molecular weight of 365.39 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-phenyl-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamide is sourced from PubChem (CID 4709558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).