N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide

C23H18N4O4 — CID 14469208

IUPACN-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
SMILESCOc1ccc(-c2nn(C(=O)N(/N=C/c3ccccc3)c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C23H18N4O4/c1-30-20-14-12-18(13-15-20)21-25-27(23(29)31-21)22(28)26(19-10-6-3-7-11-19)24-16-17-8-4-2-5-9-17/h2-16H,1H3/b24-16+
InChIKeyHUFHFCKQRODEGA-LFVJCYFKSA-N
MW414.42 g/mol
LogP4.02
Rot. Bonds5

About N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide

N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide (PubChem CID 14469208) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
PubChem CID14469208
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC NameN-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
SMILESCOc1ccc(-c2nn(C(=O)N(/N=C/c3ccccc3)c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C23H18N4O4/c1-30-20-14-12-18(13-15-20)21-25-27(23(29)31-21)22(28)26(19-10-6-3-7-11-19)24-16-17-8-4-2-5-9-17/h2-16H,1H3/b24-16+
InChIKeyHUFHFCKQRODEGA-LFVJCYFKSA-N
XLogP4.02
TPSA89.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl-
CID 3082048
5-(4-Methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one
CID 12518892
5-(4-Methoxyphenyl)-2,4-diphenyl-1,2,4-triazol-3-one
CID 13555069
6-(4-Fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10713090
(4-methoxyphenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate
CID 53656757
(4-methoxyphenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate
CID 54168462
(4S)-5-(4-methoxyphenyl)-N-nitro-N-phenyl-4-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
CID 70610553
5-(4-methoxyphenyl)-N-nitro-N-phenyl-4-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
CID 70610554
(4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate
CID 88630319
[4-[Carboxy-[(3-methoxyphenyl)methylideneamino]amino]phenyl]-[(3-methoxyphenyl)methylideneamino]carbamic acid
CID 91139696
1-[(2,4-Dimethoxyphenyl)methylideneamino]-1-phenylurea
CID 138112026
5,6-Bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one
CID 141051416

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide (CID 14469208) is N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide is COc1ccc(-c2nn(C(=O)N(/N=C/c3ccccc3)c3ccccc3)c(=O)o2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The InChIKey is HUFHFCKQRODEGA-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H18N4O4/c1-30-20-14-12-18(13-15-20)21-25-27(23(29)31-21)22(28)26(19-10-6-3-7-11-19)24-16-17-8-4-2-5-9-17/h2-16H,1H3/b24-16+.
What are the key properties of N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 14469208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).