3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate

C15H10N2O3 — CID 11118989

IUPAC3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate
SMILESO=C(c1ccccc1)c1ccccc1-[n+]1cc([O-])on1
InChIInChI=1S/C15H10N2O3/c18-14-10-17(16-20-14)13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-10H
InChIKeyADCMXDMONLHCCA-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.26
Rot. Bonds3

About 3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate

3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate (PubChem CID 11118989) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate.

Molecular Properties

Compound Name3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate
PubChem CID11118989
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate
SMILESO=C(c1ccccc1)c1ccccc1-[n+]1cc([O-])on1
InChIInChI=1S/C15H10N2O3/c18-14-10-17(16-20-14)13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-10H
InChIKeyADCMXDMONLHCCA-UHFFFAOYSA-N
XLogP1.26
TPSA70.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-benzoylbenzoic acid;hydrofluoride
CID 70485904
diphenylmethanone
CID 3102
phenyl-(2-silylphenyl)methanone
CID 137327642
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
(2-aminophenyl)-phenylmethanone
CID 158207972
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
2-carboxyphenolate;1,2-diphenylethane-1,2-dione
CID 54725784

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate?
The IUPAC name of 3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate (CID 11118989) is 3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate.
What is the SMILES notation for 3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate?
The canonical SMILES for 3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate is O=C(c1ccccc1)c1ccccc1-[n+]1cc([O-])on1.
What is the InChIKey of 3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate?
The InChIKey is ADCMXDMONLHCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-14-10-17(16-20-14)13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate?
3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate has a molecular weight of 266.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzoylphenyl)oxadiazol-3-ium-5-olate is sourced from PubChem (CID 11118989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).