6H-1,3-benzoxazol-7-one

C7H5NO2 — CID 67235805

IUPAC6H-1,3-benzoxazol-7-one
SMILESO=C1CC=Cc2ncoc21
InChIInChI=1S/C7H5NO2/c9-6-3-1-2-5-7(6)10-4-8-5/h1-2,4H,3H2
InChIKeyQOKDJJLZGYJOMA-UHFFFAOYSA-N
MW135.12 g/mol
LogP1.27
Rot. Bonds

About 6H-1,3-benzoxazol-7-one

6H-1,3-benzoxazol-7-one (PubChem CID 67235805) has the molecular formula C7H5NO2 and a molecular weight of 135.12 g/mol. Its IUPAC name is 6H-1,3-benzoxazol-7-one.

Molecular Properties

Compound Name6H-1,3-benzoxazol-7-one
PubChem CID67235805
Molecular FormulaC7H5NO2
Molecular Weight135.12 g/mol
Exact Mass135.03
IUPAC Name6H-1,3-benzoxazol-7-one
SMILESO=C1CC=Cc2ncoc21
InChIInChI=1S/C7H5NO2/c9-6-3-1-2-5-7(6)10-4-8-5/h1-2,4H,3H2
InChIKeyQOKDJJLZGYJOMA-UHFFFAOYSA-N
XLogP1.27
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6H-1,3-benzoxazol-7-one?
The IUPAC name of 6H-1,3-benzoxazol-7-one (CID 67235805) is 6H-1,3-benzoxazol-7-one.
What is the SMILES notation for 6H-1,3-benzoxazol-7-one?
The canonical SMILES for 6H-1,3-benzoxazol-7-one is O=C1CC=Cc2ncoc21.
What is the InChIKey of 6H-1,3-benzoxazol-7-one?
The InChIKey is QOKDJJLZGYJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2/c9-6-3-1-2-5-7(6)10-4-8-5/h1-2,4H,3H2.
What are the key properties of 6H-1,3-benzoxazol-7-one?
6H-1,3-benzoxazol-7-one has a molecular weight of 135.12 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-1,3-benzoxazol-7-one is sourced from PubChem (CID 67235805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).