(S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol

C30H28ClNO2 — CID 101407270

IUPAC(S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol
SMILESCC(C)(c1ccccc1)N1O[C@](c2ccccc2)([C@@H](O)c2ccccc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C30H28ClNO2/c1-29(2,24-14-8-4-9-15-24)32-27(22-18-20-26(31)21-19-22)30(34-32,25-16-10-5-11-17-25)28(33)23-12-6-3-7-13-23/h3-21,27-28,33H,1-2H3/t27-,28+,30+/m1/s1
InChIKeyCZOMMHJPQDOCQV-UNRZKBSHSA-N
MW470.01 g/mol
LogP7.19
Rot. Bonds6

About (S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol

(S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol (PubChem CID 101407270) has the molecular formula C30H28ClNO2 and a molecular weight of 470.01 g/mol. Its IUPAC name is (S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol
PubChem CID101407270
Molecular FormulaC30H28ClNO2
Molecular Weight470.01 g/mol
Exact Mass469.18
IUPAC Name(S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol
SMILESCC(C)(c1ccccc1)N1O[C@](c2ccccc2)([C@@H](O)c2ccccc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C30H28ClNO2/c1-29(2,24-14-8-4-9-15-24)32-27(22-18-20-26(31)21-19-22)30(34-32,25-16-10-5-11-17-25)28(33)23-12-6-3-7-13-23/h3-21,27-28,33H,1-2H3/t27-,28+,30+/m1/s1
InChIKeyCZOMMHJPQDOCQV-UNRZKBSHSA-N
XLogP7.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.01
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol 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

(1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol
CID 101407268
(R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
CID 134931163
(R)-[(2S,3S)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
CID 134930519
(1S,5S,6S)-5-(4-chlorophenyl)-1-methyl-6-phenyl-4-(2-phenylpropan-2-yl)-3,7-dioxa-4-azabicyclo[4.1.0]heptan-2-one
CID 101417109
[(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol
CID 101407263
N-[(R)-(4-chlorophenyl)-[(2S,3S)-2,3-diphenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine
CID 101407223
tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane
CID 101359961
(R)-[tert-butyl(dimethyl)silyl]-phenylmethanol
CID 101051972
[(2R,4S)-2-(4-chlorophenyl)-1,3-oxazolidin-4-yl]-phenylmethanol
CID 100914739
(3S,4R)-4-(4-chlorophenyl)-3-phenyl-1-propan-2-yl-3-(trifluoromethylsulfonyl)azetidin-2-one
CID 122385713
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine
CID 43184848
(4S)-3-[(2S)-2-(4-chlorophenyl)propanoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 102413091

Frequently Asked Questions

What is the IUPAC name of (S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol?
The IUPAC name of (S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol (CID 101407270) is (S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol.
What is the SMILES notation for (S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol?
The canonical SMILES for (S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol is CC(C)(c1ccccc1)N1O[C@](c2ccccc2)([C@@H](O)c2ccccc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol?
The InChIKey is CZOMMHJPQDOCQV-UNRZKBSHSA-N. The full InChI is InChI=1S/C30H28ClNO2/c1-29(2,24-14-8-4-9-15-24)32-27(22-18-20-26(31)21-19-22)30(34-32,25-16-10-5-11-17-25)28(33)23-12-6-3-7-13-23/h3-21,27-28,33H,1-2H3/t27-,28+,30+/m1/s1.
What are the key properties of (S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol?
(S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol has a molecular weight of 470.01 g/mol, XLogP of 7.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol is sourced from PubChem (CID 101407270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).