(4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole

C24H21NO2 — CID 134875263

IUPAC(4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1N=C(C2OC2(c2ccccc2)c2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C24H21NO2/c1-17-21(18-11-5-2-6-12-18)26-23(25-17)22-24(27-22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21-22H,1H3/t17-,21-,22?/m0/s1
InChIKeyLCNVTDXVWPCEOF-MNDAUZPPSA-N
MW355.44 g/mol
LogP4.89
Rot. Bonds4

About (4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole

(4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 134875263) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID134875263
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name(4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1N=C(C2OC2(c2ccccc2)c2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C24H21NO2/c1-17-21(18-11-5-2-6-12-18)26-23(25-17)22-24(27-22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21-22H,1H3/t17-,21-,22?/m0/s1
InChIKeyLCNVTDXVWPCEOF-MNDAUZPPSA-N
XLogP4.89
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole 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 (4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (CID 134875263) is (4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole is C[C@@H]1N=C(C2OC2(c2ccccc2)c2ccccc2)O[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is LCNVTDXVWPCEOF-MNDAUZPPSA-N. The full InChI is InChI=1S/C24H21NO2/c1-17-21(18-11-5-2-6-12-18)26-23(25-17)22-24(27-22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21-22H,1H3/t17-,21-,22?/m0/s1.
What are the key properties of (4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 355.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-(3,3-diphenyloxiran-2-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134875263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).