N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide

C16H10N4O2 — CID 110391027

IUPACN-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H10N4O2/c17-10-11-6-8-13(9-7-11)18-14(21)16-20-19-15(22-16)12-4-2-1-3-5-12/h1-9H,(H,18,21)
InChIKeyYIBNTEHMGHBBEW-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.86
Rot. Bonds3

About N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide

N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391027) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391027
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC NameN-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H10N4O2/c17-10-11-6-8-13(9-7-11)18-14(21)16-20-19-15(22-16)12-4-2-1-3-5-12/h1-9H,(H,18,21)
InChIKeyYIBNTEHMGHBBEW-UHFFFAOYSA-N
XLogP2.86
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392024
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390940
5-(3-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392496
5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391484
N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391030
N-(4-cyanophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200694
N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390932
N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391151
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 110391027) is N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide is N#Cc1ccc(NC(=O)c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is YIBNTEHMGHBBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2/c17-10-11-6-8-13(9-7-11)18-14(21)16-20-19-15(22-16)12-4-2-1-3-5-12/h1-9H,(H,18,21).
What are the key properties of N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).