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

C23H18N4O3 — CID 14469207

IUPACN-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
SMILESCc1ccc(-c2nn(C(=O)N(/N=C/c3ccccc3)c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C23H18N4O3/c1-17-12-14-19(15-13-17)21-25-27(23(29)30-21)22(28)26(20-10-6-3-7-11-20)24-16-18-8-4-2-5-9-18/h2-16H,1H3/b24-16+
InChIKeyNZTYXJSFLCDBTC-LFVJCYFKSA-N
MW398.42 g/mol
LogP4.32
Rot. Bonds4

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

N-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide (PubChem CID 14469207) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
PubChem CID14469207
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
SMILESCc1ccc(-c2nn(C(=O)N(/N=C/c3ccccc3)c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C23H18N4O3/c1-17-12-14-19(15-13-17)21-25-27(23(29)30-21)22(28)26(20-10-6-3-7-11-20)24-16-18-8-4-2-5-9-18/h2-16H,1H3/b24-16+
InChIKeyNZTYXJSFLCDBTC-LFVJCYFKSA-N
XLogP4.32
TPSA80.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.32
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

N-[(E)-benzylideneamino]-5-(4-fluorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
CID 14469210
3-[[[4-(Dimethylamino)phenyl]methyl-methylamino]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 17451013
(4-methylphenyl)methyl 2H-quinazoline-1-carboxylate
CID 174903180
5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
CID 10517939
2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
CID 10707940
N-[(E)-benzylideneamino]-2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
CID 14469206
N-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
CID 14469208
N-[(E)-benzylideneamino]-5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
CID 14469209
N-[(E)-benzylideneamino]-5-(4-nitrophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
CID 14469211
5-(4-Methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one
CID 122393393

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide (CID 14469207) is N-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide is Cc1ccc(-c2nn(C(=O)N(/N=C/c3ccccc3)c3ccccc3)c(=O)o2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The InChIKey is NZTYXJSFLCDBTC-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-17-12-14-19(15-13-17)21-25-27(23(29)30-21)22(28)26(20-10-6-3-7-11-20)24-16-18-8-4-2-5-9-18/h2-16H,1H3/b24-16+.
What are the key properties of N-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
N-[(E)-benzylideneamino]-5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 4.32, 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-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 14469207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).