2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide

C15H11N3O3 — CID 10707940

IUPAC2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccccc1)n1nc(-c2ccccc2)oc1=O
InChIInChI=1S/C15H11N3O3/c19-14(16-12-9-5-2-6-10-12)18-15(20)21-13(17-18)11-7-3-1-4-8-11/h1-10H,(H,16,19)
InChIKeyKOODPBONYXEPFD-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.58
Rot. Bonds2

About 2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide

2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide (PubChem CID 10707940) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
PubChem CID10707940
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccccc1)n1nc(-c2ccccc2)oc1=O
InChIInChI=1S/C15H11N3O3/c19-14(16-12-9-5-2-6-10-12)18-15(20)21-13(17-18)11-7-3-1-4-8-11/h1-10H,(H,16,19)
InChIKeyKOODPBONYXEPFD-UHFFFAOYSA-N
XLogP2.58
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Diphenyl-1,3,4-oxadiazol-2(3H)-one
CID 12412581
3-(Anilinomethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione
CID 12929477
2-oxo-N,5-diphenyl-1,3-oxazole-3-carboxamide
CID 162656722
5-(4-Fluorophenyl)-3-phenyl-1,3,4-oxadiazol-2-one
CID 134966944
5-Phenyl-3-[(phenylamino)methyl]-1,3,4-oxadiazoline-2-thione
CID 816363
3-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazol-2-one
CID 85831350
1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10133353
6-(2,6-Difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
CID 21323794
5-(4-Aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
CID 66969270
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

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide?
The IUPAC name of 2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide (CID 10707940) is 2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide?
The canonical SMILES for 2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide is O=C(Nc1ccccc1)n1nc(-c2ccccc2)oc1=O.
What is the InChIKey of 2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide?
The InChIKey is KOODPBONYXEPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-14(16-12-9-5-2-6-10-12)18-15(20)21-13(17-18)11-7-3-1-4-8-11/h1-10H,(H,16,19).
What are the key properties of 2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide?
2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 10707940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).