2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole

C19H19NO2 — CID 102371178

IUPAC2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC([C@H]2OC2(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C19H19NO2/c1-18(2)13-21-17(20-18)16-19(22-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3/t16-/m1/s1
InChIKeyGIMTWGCQOVSGSM-MRXNPFEDSA-N
MW293.37 g/mol
LogP3.54
Rot. Bonds3

About 2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 102371178) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID102371178
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC([C@H]2OC2(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C19H19NO2/c1-18(2)13-21-17(20-18)16-19(22-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3/t16-/m1/s1
InChIKeyGIMTWGCQOVSGSM-MRXNPFEDSA-N
XLogP3.54
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-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 2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 102371178) is 2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC([C@H]2OC2(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of 2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GIMTWGCQOVSGSM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19NO2/c1-18(2)13-21-17(20-18)16-19(22-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 293.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 102371178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).