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

C22H15ClN4O3 — CID 14469209

IUPACN-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
SMILESO=C(N(/N=C/c1ccccc1)c1ccccc1)n1nc(-c2ccc(Cl)cc2)oc1=O
InChIInChI=1S/C22H15ClN4O3/c23-18-13-11-17(12-14-18)20-25-27(22(29)30-20)21(28)26(19-9-5-2-6-10-19)24-15-16-7-3-1-4-8-16/h1-15H/b24-15+
InChIKeyBJMWZZGGFWUKFR-BUVRLJJBSA-N
MW418.84 g/mol
LogP4.67
Rot. Bonds4

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

N-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide (PubChem CID 14469209) has the molecular formula C22H15ClN4O3 and a molecular weight of 418.84 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
PubChem CID14469209
Molecular FormulaC22H15ClN4O3
Molecular Weight418.84 g/mol
Exact Mass418.08
IUPAC NameN-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
SMILESO=C(N(/N=C/c1ccccc1)c1ccccc1)n1nc(-c2ccc(Cl)cc2)oc1=O
InChIInChI=1S/C22H15ClN4O3/c23-18-13-11-17(12-14-18)20-25-27(22(29)30-20)21(28)26(19-9-5-2-6-10-19)24-15-16-7-3-1-4-8-16/h1-15H/b24-15+
InChIKeyBJMWZZGGFWUKFR-BUVRLJJBSA-N
XLogP4.67
TPSA80.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 54.67
H-Bond Donors ≤ 50
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

3-(4-Chlorophenyl)-5-phenyl-1,3,4-oxadiazol-2-one
CID 44408461
2-(2-Chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10522433
2-(4-Chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10760891
N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
CID 14469210
1-(4-Chlorophenyl)-3-[2-(2-oxo-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethyl]urea
CID 23609369
6-(4-Chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
CID 21323801
3,6-Bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323812
(4-chlorophenyl)methyl N-(1-phenylpyridazin-4-ylidene)carbamate
CID 53647234
6-(4-Chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione
CID 154306811
5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
CID 10663188
N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
CID 14469206
N-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
CID 14469207

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide (CID 14469209) is N-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide is O=C(N(/N=C/c1ccccc1)c1ccccc1)n1nc(-c2ccc(Cl)cc2)oc1=O.
What is the InChIKey of N-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The InChIKey is BJMWZZGGFWUKFR-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H15ClN4O3/c23-18-13-11-17(12-14-18)20-25-27(22(29)30-20)21(28)26(19-9-5-2-6-10-19)24-15-16-7-3-1-4-8-16/h1-15H/b24-15+.
What are the key properties of N-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
N-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide has a molecular weight of 418.84 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 14469209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).