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

C18H16N2O3 — CID 110616348

IUPAC(E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C18H16N2O3/c1-12(10-13-6-4-3-5-7-13)17(21)19-14-8-9-16-15(11-14)20(2)18(22)23-16/h3-11H,1-2H3,(H,19,21)/b12-10+
InChIKeyVMTWDPWBEOCHGA-ZRDIBKRKSA-N
MW308.34 g/mol
LogP3.17
Rot. Bonds3

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

(E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide (PubChem CID 110616348) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide
PubChem CID110616348
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C18H16N2O3/c1-12(10-13-6-4-3-5-7-13)17(21)19-14-8-9-16-15(11-14)20(2)18(22)23-16/h3-11H,1-2H3,(H,19,21)/b12-10+
InChIKeyVMTWDPWBEOCHGA-ZRDIBKRKSA-N
XLogP3.17
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.17
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

(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
CID 889416
(E)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylpent-2-enamide
CID 110616333
N'-(3-ethynylphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxamide
CID 99584206
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
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea
CID 23505699
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
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one
CID 115124313
3-methyl-5-(3-oxobutylamino)-1,3-benzoxazol-2-one
CID 115235442

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide (CID 110616348) is (E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)Nc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of (E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide?
The InChIKey is VMTWDPWBEOCHGA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(10-13-6-4-3-5-7-13)17(21)19-14-8-9-16-15(11-14)20(2)18(22)23-16/h3-11H,1-2H3,(H,19,21)/b12-10+.
What are the key properties of (E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide?
(E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 110616348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).