1,2-benzoxazol-4-ol

C7H5NO2 — CID 135599838

IUPAC1,2-benzoxazol-4-ol
SMILESOc1cccc2oncc12
InChIInChI=1S/C7H5NO2/c9-6-2-1-3-7-5(6)4-8-10-7/h1-4,9H
InChIKeyKTRLFZBXDGAKID-UHFFFAOYSA-N
MW135.12 g/mol
LogP1.53
Rot. Bonds

About 1,2-benzoxazol-4-ol

1,2-benzoxazol-4-ol (PubChem CID 135599838) has the molecular formula C7H5NO2 and a molecular weight of 135.12 g/mol. Its IUPAC name is 1,2-benzoxazol-4-ol.

Molecular Properties

Compound Name1,2-benzoxazol-4-ol
PubChem CID135599838
Molecular FormulaC7H5NO2
Molecular Weight135.12 g/mol
Exact Mass135.03
IUPAC Name1,2-benzoxazol-4-ol
SMILESOc1cccc2oncc12
InChIInChI=1S/C7H5NO2/c9-6-2-1-3-7-5(6)4-8-10-7/h1-4,9H
InChIKeyKTRLFZBXDGAKID-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 1,2-benzoxazol-4-ol?
The IUPAC name of 1,2-benzoxazol-4-ol (CID 135599838) is 1,2-benzoxazol-4-ol.
What is the SMILES notation for 1,2-benzoxazol-4-ol?
The canonical SMILES for 1,2-benzoxazol-4-ol is Oc1cccc2oncc12.
What is the InChIKey of 1,2-benzoxazol-4-ol?
The InChIKey is KTRLFZBXDGAKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2/c9-6-2-1-3-7-5(6)4-8-10-7/h1-4,9H.
What are the key properties of 1,2-benzoxazol-4-ol?
1,2-benzoxazol-4-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 1,2-benzoxazol-4-ol is sourced from PubChem (CID 135599838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).