5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole

C10H9ClN2O — CID 62596855

IUPAC5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
SMILESCc1ccccc1Cc1noc(Cl)n1
InChIInChI=1S/C10H9ClN2O/c1-7-4-2-3-5-8(7)6-9-12-10(11)14-13-9/h2-5H,6H2,1H3
InChIKeyIMIZGZLHQOQIHF-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.62
Rot. Bonds2

About 5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole

5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 62596855) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
PubChem CID62596855
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
SMILESCc1ccccc1Cc1noc(Cl)n1
InChIInChI=1S/C10H9ClN2O/c1-7-4-2-3-5-8(7)6-9-12-10(11)14-13-9/h2-5H,6H2,1H3
InChIKeyIMIZGZLHQOQIHF-UHFFFAOYSA-N
XLogP2.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91906883
3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 63771150
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292
2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 113308031
3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524317
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344884
5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811636
(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898615
3,3-dimethyl-1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349339
3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136789900
cyclopropyl-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 62695171
2-methyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63846134

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole (CID 62596855) is 5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole is Cc1ccccc1Cc1noc(Cl)n1.
What is the InChIKey of 5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is IMIZGZLHQOQIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-7-4-2-3-5-8(7)6-9-12-10(11)14-13-9/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 208.65 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 62596855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).