2,1-benzoxazol-5-ol

C7H5NO2 — CID 12030308

IUPAC2,1-benzoxazol-5-ol
SMILESOc1ccc2nocc2c1
InChIInChI=1S/C7H5NO2/c9-6-1-2-7-5(3-6)4-10-8-7/h1-4,9H
InChIKeyFLZLNWDOKLDRBR-UHFFFAOYSA-N
MW135.12 g/mol
LogP1.53
Rot. Bonds

About 2,1-benzoxazol-5-ol

2,1-benzoxazol-5-ol (PubChem CID 12030308) has the molecular formula C7H5NO2 and a molecular weight of 135.12 g/mol. Its IUPAC name is 2,1-benzoxazol-5-ol.

Molecular Properties

Compound Name2,1-benzoxazol-5-ol
PubChem CID12030308
Molecular FormulaC7H5NO2
Molecular Weight135.12 g/mol
Exact Mass135.03
IUPAC Name2,1-benzoxazol-5-ol
SMILESOc1ccc2nocc2c1
InChIInChI=1S/C7H5NO2/c9-6-1-2-7-5(3-6)4-10-8-7/h1-4,9H
InChIKeyFLZLNWDOKLDRBR-UHFFFAOYSA-N
XLogP1.53
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,1-benzoxazole;ethanol
CID 70543486
3-amino-2-chloroquinolin-6-ol
CID 115020074
2-methylquinolin-6-ol
CID 594395
5-pyrrolidin-3-yl-2,1-benzoxazole
CID 82405036
2,3-diiodoquinolin-6-ol
CID 174698607
sodium;hydride;naphthalene-2,6-diol
CID 174639769
2-fluoro-1,3-benzothiazol-6-ol
CID 91882966
2-(difluoromethyl)quinolin-6-ol
CID 118843194
2-ethylquinolin-6-ol
CID 19389936
bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone
CID 174634170
2-(2-trimethylsilylethynyl)quinolin-6-ol
CID 91004975
7-fluorophenazin-2-ol
CID 154115313

Frequently Asked Questions

What is the IUPAC name of 2,1-benzoxazol-5-ol?
The IUPAC name of 2,1-benzoxazol-5-ol (CID 12030308) is 2,1-benzoxazol-5-ol.
What is the SMILES notation for 2,1-benzoxazol-5-ol?
The canonical SMILES for 2,1-benzoxazol-5-ol is Oc1ccc2nocc2c1.
What is the InChIKey of 2,1-benzoxazol-5-ol?
The InChIKey is FLZLNWDOKLDRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2/c9-6-1-2-7-5(3-6)4-10-8-7/h1-4,9H.
What are the key properties of 2,1-benzoxazol-5-ol?
2,1-benzoxazol-5-ol has a molecular weight of 135.12 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1-benzoxazol-5-ol is sourced from PubChem (CID 12030308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).