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

C10H6N4O2 — CID 84579053

IUPACN-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnon1
InChIInChI=1S/C10H6N4O2/c11-5-7-3-1-2-4-8(7)13-10(15)9-6-12-16-14-9/h1-4,6H,(H,13,15)
InChIKeyKAGKSVYYMAKQLL-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.19
Rot. Bonds2

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

N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 84579053) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID84579053
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC NameN-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnon1
InChIInChI=1S/C10H6N4O2/c11-5-7-3-1-2-4-8(7)13-10(15)9-6-12-16-14-9/h1-4,6H,(H,13,15)
InChIKeyKAGKSVYYMAKQLL-UHFFFAOYSA-N
XLogP1.19
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369142
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N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
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5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
6-amino-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 55043296
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509
N-(2-cyanophenyl)quinoline-2-carboxamide
CID 10588311
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864656
N-(2-cyanophenyl)-5-(diethylamino)pyrazine-2-carboxamide
CID 109286969
3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109071

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide (CID 84579053) is N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide is N#Cc1ccccc1NC(=O)c1cnon1.
What is the InChIKey of N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is KAGKSVYYMAKQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c11-5-7-3-1-2-4-8(7)13-10(15)9-6-12-16-14-9/h1-4,6H,(H,13,15).
What are the key properties of N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide?
N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 214.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 84579053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).