3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole

C10H9ClN2O2 — CID 112572035

IUPAC3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(Cl)no2)ccc1C
InChIInChI=1S/C10H9ClN2O2/c1-6-3-4-7(5-8(6)14-2)9-12-10(11)13-15-9/h3-5H,1-2H3
InChIKeyYFYYJHSLMFKBAJ-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.71
Rot. Bonds2

About 3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole

3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 112572035) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
PubChem CID112572035
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(Cl)no2)ccc1C
InChIInChI=1S/C10H9ClN2O2/c1-6-3-4-7(5-8(6)14-2)9-12-10(11)13-15-9/h3-5H,1-2H3
InChIKeyYFYYJHSLMFKBAJ-UHFFFAOYSA-N
XLogP2.71
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-(3-methoxy-4-methylphenyl)-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-chloro-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 112572038
[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326008
3-chloro-5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112572130
2-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336066
N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62343759
N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341594
3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole
CID 112571983
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
5-(4-bromo-2-methylphenyl)-3-chloro-1,2,4-oxadiazole
CID 112571812
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117337507
5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 25256566
2-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62342099

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole (CID 112572035) is 3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole is COc1cc(-c2nc(Cl)no2)ccc1C.
What is the InChIKey of 3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is YFYYJHSLMFKBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-6-3-4-7(5-8(6)14-2)9-12-10(11)13-15-9/h3-5H,1-2H3.
What are the key properties of 3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 224.65 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112572035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).