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

C22H16N4O3 — CID 14469206

IUPACN-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
SMILESO=C(N(/N=C/c1ccccc1)c1ccccc1)n1nc(-c2ccccc2)oc1=O
InChIInChI=1S/C22H16N4O3/c27-21(26-22(28)29-20(24-26)18-12-6-2-7-13-18)25(19-14-8-3-9-15-19)23-16-17-10-4-1-5-11-17/h1-16H/b23-16+
InChIKeyQOXPYVMECHKYKZ-XQNSMLJCSA-N
MW384.40 g/mol
LogP4.01
Rot. Bonds4

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

N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide (PubChem CID 14469206) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
PubChem CID14469206
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC NameN-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
SMILESO=C(N(/N=C/c1ccccc1)c1ccccc1)n1nc(-c2ccccc2)oc1=O
InChIInChI=1S/C22H16N4O3/c27-21(26-22(28)29-20(24-26)18-12-6-2-7-13-18)25(19-14-8-3-9-15-19)23-16-17-10-4-1-5-11-17/h1-16H/b23-16+
InChIKeyQOXPYVMECHKYKZ-XQNSMLJCSA-N
XLogP4.01
TPSA80.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.01
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

3,5-Diphenyl-1,3,4-oxadiazol-2(3H)-one
CID 12412581
6-(4-Fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10615943
N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
CID 14469210
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-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-one
CID 27056720
5-(4-Fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
CID 35938781
5-(4-Fluorophenyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
CID 133766748
3,6-Diphenyl-1,3,5-oxadiazine-2,4-dione
CID 12655636
2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
CID 59956654
5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
CID 10517939

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide (CID 14469206) is N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide is O=C(N(/N=C/c1ccccc1)c1ccccc1)n1nc(-c2ccccc2)oc1=O.
What is the InChIKey of N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide?
The InChIKey is QOXPYVMECHKYKZ-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-21(26-22(28)29-20(24-26)18-12-6-2-7-13-18)25(19-14-8-3-9-15-19)23-16-17-10-4-1-5-11-17/h1-16H/b23-16+.
What are the key properties of N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide?
N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 14469206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).