(E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide

C22H16N2O2 — CID 78801989

IUPAC(E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-21(14-15-22-24-19-12-6-7-13-20(19)26-22)23-18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-15H,(H,23,25)/b15-14+
InChIKeyOJWLEEUPWCJPNJ-CCEZHUSRSA-N
MW340.38 g/mol
LogP5.15
Rot. Bonds4

About (E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide

(E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide (PubChem CID 78801989) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide
PubChem CID78801989
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name(E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-21(14-15-22-24-19-12-6-7-13-20(19)26-22)23-18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-15H,(H,23,25)/b15-14+
InChIKeyOJWLEEUPWCJPNJ-CCEZHUSRSA-N
XLogP5.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide
CID 39471728
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-cyclopentylsulfanylphenyl)prop-2-enamide
CID 32559438
3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide
CID 110902173
3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide
CID 3913025
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 17417153
(E)-3-(1,3-benzoxazol-2-yl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17413045
3-[3-(1,3-benzoxazol-2-yl)prop-2-enoylamino]-2-methylpropanoic acid
CID 76953448
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
CID 60557288
(E)-3-(1,3-benzoxazol-2-yl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 87031990
N-(2-amino-2-oxoethyl)-3-(1,3-benzoxazol-2-yl)prop-2-enamide
CID 76873687
3-[3-(1,3-benzoxazol-2-yl)prop-2-enoylamino]-3-methylbutanoic acid
CID 77058394
3-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]amino]butanoic acid
CID 43360838

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide (CID 78801989) is (E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide is O=C(/C=C/c1nc2ccccc2o1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide?
The InChIKey is OJWLEEUPWCJPNJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-21(14-15-22-24-19-12-6-7-13-20(19)26-22)23-18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-15H,(H,23,25)/b15-14+.
What are the key properties of (E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide?
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide has a molecular weight of 340.38 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 78801989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).