(3-methyl-1,2-benzoxazol-5-yl)methanol

C9H9NO2 — CID 84651532

IUPAC(3-methyl-1,2-benzoxazol-5-yl)methanol
SMILESCc1noc2ccc(CO)cc12
InChIInChI=1S/C9H9NO2/c1-6-8-4-7(5-11)2-3-9(8)12-10-6/h2-4,11H,5H2,1H3
InChIKeyXEAFYNORIFACPI-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.63
Rot. Bonds1

About (3-methyl-1,2-benzoxazol-5-yl)methanol

(3-methyl-1,2-benzoxazol-5-yl)methanol (PubChem CID 84651532) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (3-methyl-1,2-benzoxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,2-benzoxazol-5-yl)methanol
PubChem CID84651532
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(3-methyl-1,2-benzoxazol-5-yl)methanol
SMILESCc1noc2ccc(CO)cc12
InChIInChI=1S/C9H9NO2/c1-6-8-4-7(5-11)2-3-9(8)12-10-6/h2-4,11H,5H2,1H3
InChIKeyXEAFYNORIFACPI-UHFFFAOYSA-N
XLogP1.63
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-methyl-1,2-benzoxazol-5-yl)methanol 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

5-ethyl-3-methyl-1,2-benzoxazole
CID 70293590
3,5-dimethyl-1,2-benzoxazole
CID 4283186
(3-methyl-1,2-benzoxazol-5-yl)boronic acid
CID 90733121
2-(3-methyl-1,2-benzoxazol-5-yl)-2-oxoacetic acid
CID 117293081
(5-methyl-1,2-benzoxazol-3-yl)methanol
CID 119083461
4-(3-methyl-1,2-benzoxazol-6-yl)butan-1-amine
CID 117292848
(1-methylisoquinolin-6-yl)methanol
CID 117277021
ethane;3-methyl-1,2-benzoxazole;propane
CID 143892351
(6-amino-3-methyl-1,2-benzoxazol-5-yl)-dideuteriomethanol
CID 118553098
ethane;5-ethyl-1,2-benzoxazol-3-amine
CID 143324107
1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde
CID 121258466
6-(isocyanatomethyl)-3-methyl-1,2-benzoxazole
CID 117281046

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-benzoxazol-5-yl)methanol?
The IUPAC name of (3-methyl-1,2-benzoxazol-5-yl)methanol (CID 84651532) is (3-methyl-1,2-benzoxazol-5-yl)methanol.
What is the SMILES notation for (3-methyl-1,2-benzoxazol-5-yl)methanol?
The canonical SMILES for (3-methyl-1,2-benzoxazol-5-yl)methanol is Cc1noc2ccc(CO)cc12.
What is the InChIKey of (3-methyl-1,2-benzoxazol-5-yl)methanol?
The InChIKey is XEAFYNORIFACPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-8-4-7(5-11)2-3-9(8)12-10-6/h2-4,11H,5H2,1H3.
What are the key properties of (3-methyl-1,2-benzoxazol-5-yl)methanol?
(3-methyl-1,2-benzoxazol-5-yl)methanol has a molecular weight of 163.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-benzoxazol-5-yl)methanol is sourced from PubChem (CID 84651532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).