6H-2,1-benzoxazol-7-one

C7H5NO2 — CID 69231424

IUPAC6H-2,1-benzoxazol-7-one
SMILESO=C1CC=Cc2conc21
InChIInChI=1S/C7H5NO2/c9-6-3-1-2-5-4-10-8-7(5)6/h1-2,4H,3H2
InChIKeySSEALZVJBKLURS-UHFFFAOYSA-N
MW135.12 g/mol
LogP1.27
Rot. Bonds

About 6H-2,1-benzoxazol-7-one

6H-2,1-benzoxazol-7-one (PubChem CID 69231424) has the molecular formula C7H5NO2 and a molecular weight of 135.12 g/mol. Its IUPAC name is 6H-2,1-benzoxazol-7-one.

Molecular Properties

Compound Name6H-2,1-benzoxazol-7-one
PubChem CID69231424
Molecular FormulaC7H5NO2
Molecular Weight135.12 g/mol
Exact Mass135.03
IUPAC Name6H-2,1-benzoxazol-7-one
SMILESO=C1CC=Cc2conc21
InChIInChI=1S/C7H5NO2/c9-6-3-1-2-5-4-10-8-7(5)6/h1-2,4H,3H2
InChIKeySSEALZVJBKLURS-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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Related Compounds

Isoxazoloquinolinedione
CID 70282250
(4E)-4-methoxyimino-2,1-benzoxazol-5-one
CID 6375505
N-methyl-5-oxo-2,1-benzoxazol-4-imine oxide
CID 6511533
3-Acetyl-4-methylisoxazole
CID 105422527
8H-cyclohepta[c][1,2]oxazole
CID 19093291
4H-2,1-benzoxazol-7-one
CID 67378068
2H-[1,2]oxazolo[3,4-h]quinolin-3-one
CID 153873739
4-[2-(4-Chlorocyclohexa-2,4-diene-1-carbonyl)cyclohepta-1,4-dien-1-yl]-5-iodo-1,2-oxazole-3-carbaldehyde
CID 163492961
7-Methyl-6,7-dihydro-2,1-benzoxazole
CID 167041929
2,2-Dimethyl-1-(4-methyl-1,2-oxazol-3-yl)propan-1-one
CID 169806692
6-Methyl-4,5-dihydro-2,1-benzoxazole
CID 178087591
N-methyl-5-oxo-2,1-benzoxazol-4-imine oxide
CID 3291848

Frequently Asked Questions

What is the IUPAC name of 6H-2,1-benzoxazol-7-one?
The IUPAC name of 6H-2,1-benzoxazol-7-one (CID 69231424) is 6H-2,1-benzoxazol-7-one.
What is the SMILES notation for 6H-2,1-benzoxazol-7-one?
The canonical SMILES for 6H-2,1-benzoxazol-7-one is O=C1CC=Cc2conc21.
What is the InChIKey of 6H-2,1-benzoxazol-7-one?
The InChIKey is SSEALZVJBKLURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2/c9-6-3-1-2-5-4-10-8-7(5)6/h1-2,4H,3H2.
What are the key properties of 6H-2,1-benzoxazol-7-one?
6H-2,1-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-2,1-benzoxazol-7-one is sourced from PubChem (CID 69231424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).