2,3-diphenyloxirane-2-carboxamide

C15H13NO2 — CID 3434340

IUPAC2,3-diphenyloxirane-2-carboxamide
SMILESNC(=O)C1(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C15H13NO2/c16-14(17)15(12-9-5-2-6-10-12)13(18-15)11-7-3-1-4-8-11/h1-10,13H,(H2,16,17)
InChIKeyWMXYUOSHVXGIIN-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.14
Rot. Bonds3

About 2,3-diphenyloxirane-2-carboxamide

2,3-diphenyloxirane-2-carboxamide (PubChem CID 3434340) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,3-diphenyloxirane-2-carboxamide.

Molecular Properties

Compound Name2,3-diphenyloxirane-2-carboxamide
PubChem CID3434340
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2,3-diphenyloxirane-2-carboxamide
SMILESNC(=O)C1(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C15H13NO2/c16-14(17)15(12-9-5-2-6-10-12)13(18-15)11-7-3-1-4-8-11/h1-10,13H,(H2,16,17)
InChIKeyWMXYUOSHVXGIIN-UHFFFAOYSA-N
XLogP2.14
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
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-diphenyloxirane-2-carboxamide?
The IUPAC name of 2,3-diphenyloxirane-2-carboxamide (CID 3434340) is 2,3-diphenyloxirane-2-carboxamide.
What is the SMILES notation for 2,3-diphenyloxirane-2-carboxamide?
The canonical SMILES for 2,3-diphenyloxirane-2-carboxamide is NC(=O)C1(c2ccccc2)OC1c1ccccc1.
What is the InChIKey of 2,3-diphenyloxirane-2-carboxamide?
The InChIKey is WMXYUOSHVXGIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c16-14(17)15(12-9-5-2-6-10-12)13(18-15)11-7-3-1-4-8-11/h1-10,13H,(H2,16,17).
What are the key properties of 2,3-diphenyloxirane-2-carboxamide?
2,3-diphenyloxirane-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyloxirane-2-carboxamide is sourced from PubChem (CID 3434340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).