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

C9H6ClN3O2 — CID 126666922

IUPAC5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C9H6ClN3O2/c10-6-4-2-1-3-5(6)9-12-8(7(11)14)13-15-9/h1-4H,(H2,11,14)
InChIKeyZGLVQFQKMJKBNF-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.49
Rot. Bonds2

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

5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 126666922) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID126666922
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C9H6ClN3O2/c10-6-4-2-1-3-5(6)9-12-8(7(11)14)13-15-9/h1-4H,(H2,11,14)
InChIKeyZGLVQFQKMJKBNF-UHFFFAOYSA-N
XLogP1.49
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790321
5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790109
5-(2-amino-3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 107051145
4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747216
3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 112571662
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
ethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379232
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790355
4-(2-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 19375958
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid
CID 43245176
1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 137002833
3-chloro-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62100293

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide (CID 126666922) is 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(-c2ccccc2Cl)n1.
What is the InChIKey of 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZGLVQFQKMJKBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c10-6-4-2-1-3-5(6)9-12-8(7(11)14)13-15-9/h1-4H,(H2,11,14).
What are the key properties of 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide?
5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 223.62 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 126666922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).