2-methyl-1,3-benzoxazol-5-ol

C8H7NO2 — CID 10888073

IUPAC2-methyl-1,3-benzoxazol-5-ol
SMILESCc1nc2cc(O)ccc2o1
InChIInChI=1S/C8H7NO2/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3
InChIKeyVWFUDKCJVNWDPI-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.84
Rot. Bonds

About 2-methyl-1,3-benzoxazol-5-ol

2-methyl-1,3-benzoxazol-5-ol (PubChem CID 10888073) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-methyl-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-methyl-1,3-benzoxazol-5-ol
PubChem CID10888073
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2-methyl-1,3-benzoxazol-5-ol
SMILESCc1nc2cc(O)ccc2o1
InChIInChI=1S/C8H7NO2/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3
InChIKeyVWFUDKCJVNWDPI-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

5-chloro-2-methyl-1,3-benzoxazole
CID 29510
2-methyl-1,3-benzoxazole-5-thiol
CID 83529189
4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol
CID 28675939
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone
CID 176526172
2-(difluoromethyl)-1,3-benzoxazol-5-ol
CID 118843102
2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol
CID 58946383
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
2-(propan-2-ylamino)-1,3-benzoxazol-5-ol
CID 89172308
6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol
CID 79775669
2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzoxazol-5-ol?
The IUPAC name of 2-methyl-1,3-benzoxazol-5-ol (CID 10888073) is 2-methyl-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-methyl-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-methyl-1,3-benzoxazol-5-ol is Cc1nc2cc(O)ccc2o1.
What is the InChIKey of 2-methyl-1,3-benzoxazol-5-ol?
The InChIKey is VWFUDKCJVNWDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3.
What are the key properties of 2-methyl-1,3-benzoxazol-5-ol?
2-methyl-1,3-benzoxazol-5-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-5-ol is sourced from PubChem (CID 10888073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).