N-benzhydryl-3-phenyloxaziridine-2-carboxamide

C21H18N2O2 — CID 146394654

IUPACN-benzhydryl-3-phenyloxaziridine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1OC1c1ccccc1
InChIInChI=1S/C21H18N2O2/c24-21(23-20(25-23)18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H,(H,22,24)
InChIKeyHAUZJCNPROLPBD-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.43
Rot. Bonds4

About N-benzhydryl-3-phenyloxaziridine-2-carboxamide

N-benzhydryl-3-phenyloxaziridine-2-carboxamide (PubChem CID 146394654) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-benzhydryl-3-phenyloxaziridine-2-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-phenyloxaziridine-2-carboxamide
PubChem CID146394654
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-benzhydryl-3-phenyloxaziridine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1OC1c1ccccc1
InChIInChI=1S/C21H18N2O2/c24-21(23-20(25-23)18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H,(H,22,24)
InChIKeyHAUZJCNPROLPBD-UHFFFAOYSA-N
XLogP4.43
TPSA44.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.43
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 N-benzhydryl-3-phenyloxaziridine-2-carboxamide?
The IUPAC name of N-benzhydryl-3-phenyloxaziridine-2-carboxamide (CID 146394654) is N-benzhydryl-3-phenyloxaziridine-2-carboxamide.
What is the SMILES notation for N-benzhydryl-3-phenyloxaziridine-2-carboxamide?
The canonical SMILES for N-benzhydryl-3-phenyloxaziridine-2-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1OC1c1ccccc1.
What is the InChIKey of N-benzhydryl-3-phenyloxaziridine-2-carboxamide?
The InChIKey is HAUZJCNPROLPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21(23-20(25-23)18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H,(H,22,24).
What are the key properties of N-benzhydryl-3-phenyloxaziridine-2-carboxamide?
N-benzhydryl-3-phenyloxaziridine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-phenyloxaziridine-2-carboxamide is sourced from PubChem (CID 146394654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).