(E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide

C15H11N3O2 — CID 39471728

IUPAC(E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)Nc1ccncc1
InChIInChI=1S/C15H11N3O2/c19-14(17-11-7-9-16-10-8-11)5-6-15-18-12-3-1-2-4-13(12)20-15/h1-10H,(H,16,17,19)/b6-5+
InChIKeyNMCZVGYSPJCJBB-AATRIKPKSA-N
MW265.27 g/mol
LogP2.87
Rot. Bonds3

About (E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide

(E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 39471728) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is (E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide
PubChem CID39471728
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name(E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)Nc1ccncc1
InChIInChI=1S/C15H11N3O2/c19-14(17-11-7-9-16-10-8-11)5-6-15-18-12-3-1-2-4-13(12)20-15/h1-10H,(H,16,17,19)/b6-5+
InChIKeyNMCZVGYSPJCJBB-AATRIKPKSA-N
XLogP2.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide
CID 110902173
(E)-3-(1,3-benzoxazol-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide
CID 36544732
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
CID 26702947
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide
CID 78801989
(E)-3-(1,3-benzoxazol-2-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]prop-2-enamide
CID 110899671
N-(2-amino-2-oxoethyl)-3-(1,3-benzoxazol-2-yl)prop-2-enamide
CID 76873687
3-(1,3-benzoxazol-2-yl)-N-(2-bromoprop-2-enyl)prop-2-enamide
CID 91942685
(E)-3-(1,3-benzoxazol-2-yl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 87031990
2-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]-1,3-benzoxazole
CID 155553595
(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-[[(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-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide (CID 39471728) is (E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1nc2ccccc2o1)Nc1ccncc1.
What is the InChIKey of (E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is NMCZVGYSPJCJBB-AATRIKPKSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-14(17-11-7-9-16-10-8-11)5-6-15-18-12-3-1-2-4-13(12)20-15/h1-10H,(H,16,17,19)/b6-5+.
What are the key properties of (E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide?
(E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide has a molecular weight of 265.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 39471728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).