4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol

C9H8N2O2 — CID 3692407

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C9H8N2O2/c1-6-10-9(13-11-6)7-2-4-8(12)5-3-7/h2-5,12H,1H3
InChIKeyYARBCARLULHRKB-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.75
Rot. Bonds1

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol

4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 3692407) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID3692407
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C9H8N2O2/c1-6-10-9(13-11-6)7-2-4-8(12)5-3-7/h2-5,12H,1H3
InChIKeyYARBCARLULHRKB-UHFFFAOYSA-N
XLogP1.75
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methyl-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-methyl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol (CID 3692407) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol is Cc1noc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is YARBCARLULHRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6-10-9(13-11-6)7-2-4-8(12)5-3-7/h2-5,12H,1H3.
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 176.17 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 3692407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).