2,3-diphenyloxaziridine

C13H11NO — CID 15033438

IUPAC2,3-diphenyloxaziridine
SMILESc1ccc(C2ON2c2ccccc2)cc1
InChIInChI=1S/C13H11NO/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13H
InChIKeyFKOFHTNGBBAITL-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.14
Rot. Bonds2

About 2,3-diphenyloxaziridine

2,3-diphenyloxaziridine (PubChem CID 15033438) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 2,3-diphenyloxaziridine.

Molecular Properties

Compound Name2,3-diphenyloxaziridine
PubChem CID15033438
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name2,3-diphenyloxaziridine
SMILESc1ccc(C2ON2c2ccccc2)cc1
InChIInChI=1S/C13H11NO/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13H
InChIKeyFKOFHTNGBBAITL-UHFFFAOYSA-N
XLogP3.14
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyloxaziridine?
The IUPAC name of 2,3-diphenyloxaziridine (CID 15033438) is 2,3-diphenyloxaziridine.
What is the SMILES notation for 2,3-diphenyloxaziridine?
The canonical SMILES for 2,3-diphenyloxaziridine is c1ccc(C2ON2c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyloxaziridine?
The InChIKey is FKOFHTNGBBAITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of 2,3-diphenyloxaziridine?
2,3-diphenyloxaziridine has a molecular weight of 197.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyloxaziridine is sourced from PubChem (CID 15033438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).