benzo[f][1,2]benzoxazol-3-one

C11H7NO2 — CID 131863882

IUPACbenzo[f][1,2]benzoxazol-3-one
SMILESO=c1[nH]oc2cc3ccccc3cc12
InChIInChI=1S/C11H7NO2/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)14-12-11/h1-6H,(H,12,13)
InChIKeyDPIGZCIBDUBRBC-UHFFFAOYSA-N
MW185.18 g/mol
LogP2.27
Rot. Bonds

About benzo[f][1,2]benzoxazol-3-one

benzo[f][1,2]benzoxazol-3-one (PubChem CID 131863882) has the molecular formula C11H7NO2 and a molecular weight of 185.18 g/mol. Its IUPAC name is benzo[f][1,2]benzoxazol-3-one.

Molecular Properties

Compound Namebenzo[f][1,2]benzoxazol-3-one
PubChem CID131863882
Molecular FormulaC11H7NO2
Molecular Weight185.18 g/mol
Exact Mass185.05
IUPAC Namebenzo[f][1,2]benzoxazol-3-one
SMILESO=c1[nH]oc2cc3ccccc3cc12
InChIInChI=1S/C11H7NO2/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)14-12-11/h1-6H,(H,12,13)
InChIKeyDPIGZCIBDUBRBC-UHFFFAOYSA-N
XLogP2.27
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[f][1,2]benzoxazol-3-one?
The IUPAC name of benzo[f][1,2]benzoxazol-3-one (CID 131863882) is benzo[f][1,2]benzoxazol-3-one.
What is the SMILES notation for benzo[f][1,2]benzoxazol-3-one?
The canonical SMILES for benzo[f][1,2]benzoxazol-3-one is O=c1[nH]oc2cc3ccccc3cc12.
What is the InChIKey of benzo[f][1,2]benzoxazol-3-one?
The InChIKey is DPIGZCIBDUBRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)14-12-11/h1-6H,(H,12,13).
What are the key properties of benzo[f][1,2]benzoxazol-3-one?
benzo[f][1,2]benzoxazol-3-one has a molecular weight of 185.18 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f][1,2]benzoxazol-3-one is sourced from PubChem (CID 131863882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).