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

C16H9ClN4O2 — CID 110391484

IUPAC5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2nnc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C16H9ClN4O2/c17-12-5-2-4-11(8-12)15-20-21-16(23-15)14(22)19-13-6-1-3-10(7-13)9-18/h1-8H,(H,19,22)
InChIKeyQCBGTWGPYSIJNL-UHFFFAOYSA-N
MW324.73 g/mol
LogP3.51
Rot. Bonds3

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

5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391484) has the molecular formula C16H9ClN4O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391484
Molecular FormulaC16H9ClN4O2
Molecular Weight324.73 g/mol
Exact Mass324.04
IUPAC Name5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2nnc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C16H9ClN4O2/c17-12-5-2-4-11(8-12)15-20-21-16(23-15)14(22)19-13-6-1-3-10(7-13)9-18/h1-8H,(H,19,22)
InChIKeyQCBGTWGPYSIJNL-UHFFFAOYSA-N
XLogP3.51
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392521
5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391456
5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide
CID 110391475
5-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391457
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391027
N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392024
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391442
2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192536
5-(3-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392496
N-(3-bromophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392563

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391484) is 5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide is N#Cc1cccc(NC(=O)c2nnc(-c3cccc(Cl)c3)o2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QCBGTWGPYSIJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O2/c17-12-5-2-4-11(8-12)15-20-21-16(23-15)14(22)19-13-6-1-3-10(7-13)9-18/h1-8H,(H,19,22).
What are the key properties of 5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 324.73 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).