N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C25H21N3O4 — CID 162659179

IUPACN-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1cccc(/C=C/C(=N\NC(=O)Cn2c(=O)oc3ccccc32)c2ccccc2)c1
InChIInChI=1S/C25H21N3O4/c1-31-20-11-7-8-18(16-20)14-15-21(19-9-3-2-4-10-19)26-27-24(29)17-28-22-12-5-6-13-23(22)32-25(28)30/h2-16H,17H2,1H3,(H,27,29)/b15-14+,26-21+
InChIKeyVKDLFZVHGCWHBK-ZNNDOPIPSA-N
MW427.46 g/mol
LogP3.84
Rot. Bonds7

About N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 162659179) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID162659179
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1cccc(/C=C/C(=N\NC(=O)Cn2c(=O)oc3ccccc32)c2ccccc2)c1
InChIInChI=1S/C25H21N3O4/c1-31-20-11-7-8-18(16-20)14-15-21(19-9-3-2-4-10-19)26-27-24(29)17-28-22-12-5-6-13-23(22)32-25(28)30/h2-16H,17H2,1H3,(H,27,29)/b15-14+,26-21+
InChIKeyVKDLFZVHGCWHBK-ZNNDOPIPSA-N
XLogP3.84
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70689088
2-[5-(4-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70695397
3-[2-[3-(2-Chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 162649991
N-[(E)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 162657072
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(E)-[(E)-3-(2-chlorophenyl)-1-(2-methoxyphenyl)prop-2-enylidene]amino]acetamide
CID 162659289
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)-1-phenylprop-2-enylidene]amino]acetamide
CID 162667149
N-[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 162668149
N-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
CID 2996296
N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
CID 4199510
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 5344744
N'-(3-hydroxybenzylidene)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoacetohydrazide
CID 5344753
N-methyl-2-(2-oxo-6-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide
CID 70687005

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 162659179) is N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COc1cccc(/C=C/C(=N\NC(=O)Cn2c(=O)oc3ccccc32)c2ccccc2)c1.
What is the InChIKey of N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is VKDLFZVHGCWHBK-ZNNDOPIPSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-31-20-11-7-8-18(16-20)14-15-21(19-9-3-2-4-10-19)26-27-24(29)17-28-22-12-5-6-13-23(22)32-25(28)30/h2-16H,17H2,1H3,(H,27,29)/b15-14+,26-21+.
What are the key properties of N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 427.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 162659179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).