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

C10H10N2O2 — CID 171373652

IUPAC2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(C)cc(-c2nnco2)c1
InChIInChI=1S/C10H10N2O2/c1-7-3-8(5-9(4-7)13-2)10-12-11-6-14-10/h3-6H,1-2H3
InChIKeyUSLVSYGLHSULRW-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.05
Rot. Bonds2

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

2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole (PubChem CID 171373652) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole
PubChem CID171373652
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(C)cc(-c2nnco2)c1
InChIInChI=1S/C10H10N2O2/c1-7-3-8(5-9(4-7)13-2)10-12-11-6-14-10/h3-6H,1-2H3
InChIKeyUSLVSYGLHSULRW-UHFFFAOYSA-N
XLogP2.05
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole (CID 171373652) is 2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole is COc1cc(C)cc(-c2nnco2)c1.
What is the InChIKey of 2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is USLVSYGLHSULRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-3-8(5-9(4-7)13-2)10-12-11-6-14-10/h3-6H,1-2H3.
What are the key properties of 2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole?
2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 190.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 171373652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).