4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole

C22H26N2O — CID 101334205

IUPAC4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole
SMILESC[C@H](c1ccccc1)N1[C@@H](c2ccccc2)[C@]1(C)C1=NC(C)(C)CO1
InChIInChI=1S/C22H26N2O/c1-16(17-11-7-5-8-12-17)24-19(18-13-9-6-10-14-18)22(24,4)20-23-21(2,3)15-25-20/h5-14,16,19H,15H2,1-4H3/t16-,19+,22-,24?/m1/s1
InChIKeyMRFJDLIGLJQIMF-ZJSMKRBRSA-N
MW334.46 g/mol
LogP4.77
Rot. Bonds4

About 4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole

4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole (PubChem CID 101334205) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole
PubChem CID101334205
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole
SMILESC[C@H](c1ccccc1)N1[C@@H](c2ccccc2)[C@]1(C)C1=NC(C)(C)CO1
InChIInChI=1S/C22H26N2O/c1-16(17-11-7-5-8-12-17)24-19(18-13-9-6-10-14-18)22(24,4)20-23-21(2,3)15-25-20/h5-14,16,19H,15H2,1-4H3/t16-,19+,22-,24?/m1/s1
InChIKeyMRFJDLIGLJQIMF-ZJSMKRBRSA-N
XLogP4.77
TPSA24.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-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

Related Compounds

2-[(2S,3R)-1-(benzenesulfonyl)-2-methyl-3-phenylaziridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 102510446
2-[(2S,3R)-3-deuterio-1-diphenylphosphoryl-2-methyl-3-phenylaziridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 102209401
4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole
CID 86092664
2-[(2R,3R)-1-[(1R)-2-methoxy-1-phenylethyl]-3-phenylaziridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 101334198
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenyl-N,N-di(propan-2-yl)acetamide
CID 101350270
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone
CID 15892645
(4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid
CID 101203564
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylpropan-1-one
CID 86102954
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 10583839
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole
CID 6311587
[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol
CID 10401565

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole (CID 101334205) is 4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole is C[C@H](c1ccccc1)N1[C@@H](c2ccccc2)[C@]1(C)C1=NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole?
The InChIKey is MRFJDLIGLJQIMF-ZJSMKRBRSA-N. The full InChI is InChI=1S/C22H26N2O/c1-16(17-11-7-5-8-12-17)24-19(18-13-9-6-10-14-18)22(24,4)20-23-21(2,3)15-25-20/h5-14,16,19H,15H2,1-4H3/t16-,19+,22-,24?/m1/s1.
What are the key properties of 4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole?
4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole has a molecular weight of 334.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(2R,3S)-2-methyl-3-phenyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole is sourced from PubChem (CID 101334205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).