(2-methoxy-1,3-benzoxazol-4-yl)methanol

C9H9NO3 — CID 117277912

IUPAC(2-methoxy-1,3-benzoxazol-4-yl)methanol
SMILESCOc1nc2c(CO)cccc2o1
InChIInChI=1S/C9H9NO3/c1-12-9-10-8-6(5-11)3-2-4-7(8)13-9/h2-4,11H,5H2,1H3
InChIKeyVJVXPRAUVFULBR-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.33
Rot. Bonds2

About (2-methoxy-1,3-benzoxazol-4-yl)methanol

(2-methoxy-1,3-benzoxazol-4-yl)methanol (PubChem CID 117277912) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2-methoxy-1,3-benzoxazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-1,3-benzoxazol-4-yl)methanol
PubChem CID117277912
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name(2-methoxy-1,3-benzoxazol-4-yl)methanol
SMILESCOc1nc2c(CO)cccc2o1
InChIInChI=1S/C9H9NO3/c1-12-9-10-8-6(5-11)3-2-4-7(8)13-9/h2-4,11H,5H2,1H3
InChIKeyVJVXPRAUVFULBR-UHFFFAOYSA-N
XLogP1.33
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methoxy-1,3-benzoxazol-4-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

1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine
CID 117314422
1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine
CID 117311054
2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 117368074
(2-tert-butyl-1,3-benzoxazol-4-yl)methanol
CID 118375075
(2-methyl-1,3-benzoxazol-4-yl)methanol;methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 158641727
2-methoxy-1,3-benzoxazole-4-carbaldehyde
CID 117274008
methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate
CID 117346029
4-(chloromethyl)-2-ethoxy-1,3-benzoxazole
CID 130840585
(2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol
CID 54527249
7-(fluoromethyl)-2-methoxy-1,3-benzoxazole
CID 131169380
3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol
CID 117282271
4-ethyl-1,3-benzoxazole-2-carboxamide
CID 118827629

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-1,3-benzoxazol-4-yl)methanol?
The IUPAC name of (2-methoxy-1,3-benzoxazol-4-yl)methanol (CID 117277912) is (2-methoxy-1,3-benzoxazol-4-yl)methanol.
What is the SMILES notation for (2-methoxy-1,3-benzoxazol-4-yl)methanol?
The canonical SMILES for (2-methoxy-1,3-benzoxazol-4-yl)methanol is COc1nc2c(CO)cccc2o1.
What is the InChIKey of (2-methoxy-1,3-benzoxazol-4-yl)methanol?
The InChIKey is VJVXPRAUVFULBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-12-9-10-8-6(5-11)3-2-4-7(8)13-9/h2-4,11H,5H2,1H3.
What are the key properties of (2-methoxy-1,3-benzoxazol-4-yl)methanol?
(2-methoxy-1,3-benzoxazol-4-yl)methanol has a molecular weight of 179.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1,3-benzoxazol-4-yl)methanol is sourced from PubChem (CID 117277912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).