3-methyl-1,2-benzoxazol-4-ol

C8H7NO2 — CID 135429940

IUPAC3-methyl-1,2-benzoxazol-4-ol
SMILESCc1noc2cccc(O)c12
InChIInChI=1S/C8H7NO2/c1-5-8-6(10)3-2-4-7(8)11-9-5/h2-4,10H,1H3
InChIKeyQJKWESZXKFJXGT-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.84
Rot. Bonds

About 3-methyl-1,2-benzoxazol-4-ol

3-methyl-1,2-benzoxazol-4-ol (PubChem CID 135429940) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-methyl-1,2-benzoxazol-4-ol.

Molecular Properties

Compound Name3-methyl-1,2-benzoxazol-4-ol
PubChem CID135429940
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name3-methyl-1,2-benzoxazol-4-ol
SMILESCc1noc2cccc(O)c12
InChIInChI=1S/C8H7NO2/c1-5-8-6(10)3-2-4-7(8)11-9-5/h2-4,10H,1H3
InChIKeyQJKWESZXKFJXGT-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

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Related Compounds

4-iodo-3-methyl-1,2-benzoxazole
CID 150470662
3-methyl-3-(3-methyl-1,2-benzoxazol-4-yl)butanoic acid
CID 117337922
1-(3-methyl-1,2-benzoxazol-4-yl)cyclopentane-1-carboxylic acid
CID 117364856
4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole
CID 84672186
ethane;3-methyl-1,2-benzoxazole;propane
CID 143892351
N,4-dimethyl-1,2-benzoxazol-3-amine
CID 119083756
4-fluoro-5-methoxy-3-methyl-1,2-benzoxazole
CID 175218328
4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid
CID 117110028
2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide
CID 67966943
2-tert-butyl-3-methyl-1-benzofuran-4-ol
CID 70367536
3,5-dimethyl-4-nitro-1,2-benzoxazole
CID 15561249
(5-chloro-3-methyl-1,2-benzoxazol-4-yl)methanamine
CID 117110095

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-benzoxazol-4-ol?
The IUPAC name of 3-methyl-1,2-benzoxazol-4-ol (CID 135429940) is 3-methyl-1,2-benzoxazol-4-ol.
What is the SMILES notation for 3-methyl-1,2-benzoxazol-4-ol?
The canonical SMILES for 3-methyl-1,2-benzoxazol-4-ol is Cc1noc2cccc(O)c12.
What is the InChIKey of 3-methyl-1,2-benzoxazol-4-ol?
The InChIKey is QJKWESZXKFJXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-5-8-6(10)3-2-4-7(8)11-9-5/h2-4,10H,1H3.
What are the key properties of 3-methyl-1,2-benzoxazol-4-ol?
3-methyl-1,2-benzoxazol-4-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 3-methyl-1,2-benzoxazol-4-ol is sourced from PubChem (CID 135429940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).