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

C17H14N2O3 — CID 32578190

IUPAC(E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)NOCc1ccccc1
InChIInChI=1S/C17H14N2O3/c20-16(19-21-12-13-6-2-1-3-7-13)10-11-17-18-14-8-4-5-9-15(14)22-17/h1-11H,12H2,(H,19,20)/b11-10+
InChIKeyRSWUETQQVDXYML-ZHACJKMWSA-N
MW294.31 g/mol
LogP3.09
Rot. Bonds5

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

(E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide (PubChem CID 32578190) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide
PubChem CID32578190
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)NOCc1ccccc1
InChIInChI=1S/C17H14N2O3/c20-16(19-21-12-13-6-2-1-3-7-13)10-11-17-18-14-8-4-5-9-15(14)22-17/h1-11H,12H2,(H,19,20)/b11-10+
InChIKeyRSWUETQQVDXYML-ZHACJKMWSA-N
XLogP3.09
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide (CID 32578190) is (E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide is O=C(/C=C/c1nc2ccccc2o1)NOCc1ccccc1.
What is the InChIKey of (E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide?
The InChIKey is RSWUETQQVDXYML-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-16(19-21-12-13-6-2-1-3-7-13)10-11-17-18-14-8-4-5-9-15(14)22-17/h1-11H,12H2,(H,19,20)/b11-10+.
What are the key properties of (E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide?
(E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide has a molecular weight of 294.31 g/mol, XLogP of 3.09, 5 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-phenylmethoxyprop-2-enamide is sourced from PubChem (CID 32578190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).