(E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide

C19H18N2O2 — CID 110415840

IUPAC(E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)Nc1cccc2nc(C)oc12)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-3-14(15-8-5-4-6-9-15)12-18(22)21-17-11-7-10-16-19(17)23-13(2)20-16/h4-12H,3H2,1-2H3,(H,21,22)/b14-12+
InChIKeyHGHICQNSNUFUNM-WYMLVPIESA-N
MW306.37 g/mol
LogP4.57
Rot. Bonds4

About (E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide

(E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide (PubChem CID 110415840) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide
PubChem CID110415840
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)Nc1cccc2nc(C)oc12)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-3-14(15-8-5-4-6-9-15)12-18(22)21-17-11-7-10-16-19(17)23-13(2)20-16/h4-12H,3H2,1-2H3,(H,21,22)/b14-12+
InChIKeyHGHICQNSNUFUNM-WYMLVPIESA-N
XLogP4.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide?
The IUPAC name of (E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide (CID 110415840) is (E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide.
What is the SMILES notation for (E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide?
The canonical SMILES for (E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide is CC/C(=C\C(=O)Nc1cccc2nc(C)oc12)c1ccccc1.
What is the InChIKey of (E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide?
The InChIKey is HGHICQNSNUFUNM-WYMLVPIESA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-14(15-8-5-4-6-9-15)12-18(22)21-17-11-7-10-16-19(17)23-13(2)20-16/h4-12H,3H2,1-2H3,(H,21,22)/b14-12+.
What are the key properties of (E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide?
(E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide has a molecular weight of 306.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide is sourced from PubChem (CID 110415840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).