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

C22H15FN4O3 — CID 14469210

IUPACN-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
SMILESO=C(N(/N=C/c1ccccc1)c1ccccc1)n1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C22H15FN4O3/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+
InChIKeyHRODWUYFHFNGHD-BUVRLJJBSA-N
MW402.39 g/mol
LogP4.15
Rot. Bonds4

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

N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide (PubChem CID 14469210) has the molecular formula C22H15FN4O3 and a molecular weight of 402.39 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
PubChem CID14469210
Molecular FormulaC22H15FN4O3
Molecular Weight402.39 g/mol
Exact Mass402.11
IUPAC NameN-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
SMILESO=C(N(/N=C/c1ccccc1)c1ccccc1)n1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C22H15FN4O3/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+
InChIKeyHRODWUYFHFNGHD-BUVRLJJBSA-N
XLogP4.15
TPSA80.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 54.15
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'}

Analyze N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-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

3,5-Diphenyl-1,3,4-oxadiazol-2(3H)-one
CID 12412581
5-(4-Fluorophenyl)-3-phenyl-1,3,4-oxadiazol-2-one
CID 134966944
5-(4-Fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
CID 17434854
6-(2,6-Difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
CID 21323794
5-(2,6-Difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 23042051
6-(4-Fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10615943
6-(4-Fluorophenyl)-2-phenyl-5-sulfanylidene-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazin-7-one
CID 10807056
4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide
CID 17436437
3-[[[4-(Dimethylamino)phenyl]methyl-methylamino]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 17451013
5-(4-Fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one
CID 17491072
5-(4-Fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
CID 18125938
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide
CID 27040645

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide (CID 14469210) is N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide is O=C(N(/N=C/c1ccccc1)c1ccccc1)n1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The InChIKey is HRODWUYFHFNGHD-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H15FN4O3/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-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide has a molecular weight of 402.39 g/mol, XLogP of 4.15, 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-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 14469210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).