(E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide

C19H18N2O3 — CID 110616333

IUPAC(E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)Nc1ccc2oc(=O)n(C)c2c1)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-3-13(14-7-5-4-6-8-14)11-18(22)20-15-9-10-17-16(12-15)21(2)19(23)24-17/h4-12H,3H2,1-2H3,(H,20,22)/b13-11+
InChIKeyQJJOEWHDAUDSCQ-ACCUITESSA-N
MW322.36 g/mol
LogP3.56
Rot. Bonds4

About (E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide

(E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide (PubChem CID 110616333) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide
PubChem CID110616333
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)Nc1ccc2oc(=O)n(C)c2c1)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-3-13(14-7-5-4-6-8-14)11-18(22)20-15-9-10-17-16(12-15)21(2)19(23)24-17/h4-12H,3H2,1-2H3,(H,20,22)/b13-11+
InChIKeyQJJOEWHDAUDSCQ-ACCUITESSA-N
XLogP3.56
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.56
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

(E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide
CID 110616348
2-amino-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115179138
2-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115164147
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137
3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 83547008
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774161
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide
CID 110412208
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea
CID 23505699
2-amino-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)pentanamide;hydrochloride
CID 119768168
3-methyl-5-(3-oxobutylamino)-1,3-benzoxazol-2-one
CID 115235442
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide?
The IUPAC name of (E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide (CID 110616333) is (E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide.
What is the SMILES notation for (E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide?
The canonical SMILES for (E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide is CC/C(=C\C(=O)Nc1ccc2oc(=O)n(C)c2c1)c1ccccc1.
What is the InChIKey of (E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide?
The InChIKey is QJJOEWHDAUDSCQ-ACCUITESSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-13(14-7-5-4-6-8-14)11-18(22)20-15-9-10-17-16(12-15)21(2)19(23)24-17/h4-12H,3H2,1-2H3,(H,20,22)/b13-11+.
What are the key properties of (E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide?
(E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide has a molecular weight of 322.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide is sourced from PubChem (CID 110616333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).