N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide

C27H22N2O2 — CID 146394218

IUPACN-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1OC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H22N2O2/c30-27(28-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23)29-26(31-29)24-18-16-21(17-19-24)20-10-4-1-5-11-20/h1-19,25-26H,(H,28,30)
InChIKeyWECJKZQFNCNDCD-UHFFFAOYSA-N
MW406.49 g/mol
LogP6.10
Rot. Bonds5

About N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide

N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide (PubChem CID 146394218) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide
PubChem CID146394218
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC NameN-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1OC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H22N2O2/c30-27(28-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23)29-26(31-29)24-18-16-21(17-19-24)20-10-4-1-5-11-20/h1-19,25-26H,(H,28,30)
InChIKeyWECJKZQFNCNDCD-UHFFFAOYSA-N
XLogP6.10
TPSA44.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide?
The IUPAC name of N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide (CID 146394218) is N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide.
What is the SMILES notation for N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide?
The canonical SMILES for N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1OC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide?
The InChIKey is WECJKZQFNCNDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c30-27(28-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23)29-26(31-29)24-18-16-21(17-19-24)20-10-4-1-5-11-20/h1-19,25-26H,(H,28,30).
What are the key properties of N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide?
N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide is sourced from PubChem (CID 146394218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).