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

C9H7ClN2O — CID 30469663

IUPAC5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C9H7ClN2O/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,1H3
InChIKeyMCPVXAZQISPZJO-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.70
Rot. Bonds1

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

5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 30469663) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
PubChem CID30469663
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C9H7ClN2O/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,1H3
InChIKeyMCPVXAZQISPZJO-UHFFFAOYSA-N
XLogP2.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole (CID 30469663) is 5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2ccccc2Cl)n1.
What is the InChIKey of 5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is MCPVXAZQISPZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole?
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 194.62 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 30469663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).