4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol

C15H12N2O2 — CID 798302

IUPAC4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccccc1-c1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C15H12N2O2/c1-10-4-2-3-5-13(10)14-16-15(19-17-14)11-6-8-12(18)9-7-11/h2-9,18H,1H3
InChIKeyZMXAKACKYKVMGO-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.42
Rot. Bonds2

About 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol

4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 798302) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID798302
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccccc1-c1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C15H12N2O2/c1-10-4-2-3-5-13(10)14-16-15(19-17-14)11-6-8-12(18)9-7-11/h2-9,18H,1H3
InChIKeyZMXAKACKYKVMGO-UHFFFAOYSA-N
XLogP3.42
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol 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 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 798302) is 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ccccc1-c1noc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is ZMXAKACKYKVMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-4-2-3-5-13(10)14-16-15(19-17-14)11-6-8-12(18)9-7-11/h2-9,18H,1H3.
What are the key properties of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 252.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 798302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).