2-methyl-1,3-benzoxazol-6-ol

C8H7NO2 — CID 676504

IUPAC2-methyl-1,3-benzoxazol-6-ol
SMILESCc1nc2ccc(O)cc2o1
InChIInChI=1S/C8H7NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3
InChIKeyRZKJWYDRDBVDJJ-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.84
Rot. Bonds

About 2-methyl-1,3-benzoxazol-6-ol

2-methyl-1,3-benzoxazol-6-ol (PubChem CID 676504) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-methyl-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-methyl-1,3-benzoxazol-6-ol
PubChem CID676504
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2-methyl-1,3-benzoxazol-6-ol
SMILESCc1nc2ccc(O)cc2o1
InChIInChI=1S/C8H7NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3
InChIKeyRZKJWYDRDBVDJJ-UHFFFAOYSA-N
XLogP1.84
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1,3-benzoxazol-6-ol 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-methyl-1,3-benzoxazol-6-ol?
The IUPAC name of 2-methyl-1,3-benzoxazol-6-ol (CID 676504) is 2-methyl-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-methyl-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-methyl-1,3-benzoxazol-6-ol is Cc1nc2ccc(O)cc2o1.
What is the InChIKey of 2-methyl-1,3-benzoxazol-6-ol?
The InChIKey is RZKJWYDRDBVDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3.
What are the key properties of 2-methyl-1,3-benzoxazol-6-ol?
2-methyl-1,3-benzoxazol-6-ol has a molecular weight of 149.15 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-benzoxazol-6-ol is sourced from PubChem (CID 676504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).