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

C9H9NO2 — CID 119083461

IUPAC(5-methyl-1,2-benzoxazol-3-yl)methanol
SMILESCc1ccc2onc(CO)c2c1
InChIInChI=1S/C9H9NO2/c1-6-2-3-9-7(4-6)8(5-11)10-12-9/h2-4,11H,5H2,1H3
InChIKeyLWROILPIWGTVOY-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.63
Rot. Bonds1

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

(5-methyl-1,2-benzoxazol-3-yl)methanol (PubChem CID 119083461) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (5-methyl-1,2-benzoxazol-3-yl)methanol.

Molecular Properties

Compound Name(5-methyl-1,2-benzoxazol-3-yl)methanol
PubChem CID119083461
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(5-methyl-1,2-benzoxazol-3-yl)methanol
SMILESCc1ccc2onc(CO)c2c1
InChIInChI=1S/C9H9NO2/c1-6-2-3-9-7(4-6)8(5-11)10-12-9/h2-4,11H,5H2,1H3
InChIKeyLWROILPIWGTVOY-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

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Related Compounds

3,5-dimethyl-1,2-benzoxazole
CID 4283186
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 108803195
3-iodo-5-methyl-1,2-benzoxazole
CID 130284557
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790464
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790505
N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519822
N-[(4-chlorophenyl)methyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519867
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647250

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-benzoxazol-3-yl)methanol?
The IUPAC name of (5-methyl-1,2-benzoxazol-3-yl)methanol (CID 119083461) is (5-methyl-1,2-benzoxazol-3-yl)methanol.
What is the SMILES notation for (5-methyl-1,2-benzoxazol-3-yl)methanol?
The canonical SMILES for (5-methyl-1,2-benzoxazol-3-yl)methanol is Cc1ccc2onc(CO)c2c1.
What is the InChIKey of (5-methyl-1,2-benzoxazol-3-yl)methanol?
The InChIKey is LWROILPIWGTVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-2-3-9-7(4-6)8(5-11)10-12-9/h2-4,11H,5H2,1H3.
What are the key properties of (5-methyl-1,2-benzoxazol-3-yl)methanol?
(5-methyl-1,2-benzoxazol-3-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 (5-methyl-1,2-benzoxazol-3-yl)methanol is sourced from PubChem (CID 119083461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).