1,3-benzoxazol-6-ol

C7H5NO2 — CID 11693915

IUPAC1,3-benzoxazol-6-ol
SMILESOc1ccc2ncoc2c1
InChIInChI=1S/C7H5NO2/c9-5-1-2-6-7(3-5)10-4-8-6/h1-4,9H
InChIKeySAHAKBXWZLDNAA-UHFFFAOYSA-N
MW135.12 g/mol
LogP1.53
Rot. Bonds

About 1,3-benzoxazol-6-ol

1,3-benzoxazol-6-ol (PubChem CID 11693915) has the molecular formula C7H5NO2 and a molecular weight of 135.12 g/mol. Its IUPAC name is 1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name1,3-benzoxazol-6-ol
PubChem CID11693915
Molecular FormulaC7H5NO2
Molecular Weight135.12 g/mol
Exact Mass135.03
IUPAC Name1,3-benzoxazol-6-ol
SMILESOc1ccc2ncoc2c1
InChIInChI=1S/C7H5NO2/c9-5-1-2-6-7(3-5)10-4-8-6/h1-4,9H
InChIKeySAHAKBXWZLDNAA-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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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-6-ol?
The IUPAC name of 1,3-benzoxazol-6-ol (CID 11693915) is 1,3-benzoxazol-6-ol.
What is the SMILES notation for 1,3-benzoxazol-6-ol?
The canonical SMILES for 1,3-benzoxazol-6-ol is Oc1ccc2ncoc2c1.
What is the InChIKey of 1,3-benzoxazol-6-ol?
The InChIKey is SAHAKBXWZLDNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2/c9-5-1-2-6-7(3-5)10-4-8-6/h1-4,9H.
What are the key properties of 1,3-benzoxazol-6-ol?
1,3-benzoxazol-6-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 1,3-benzoxazol-6-ol is sourced from PubChem (CID 11693915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).