(1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol

C25H26ClNO2 — CID 101407268

IUPAC(1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol
SMILESC[C@@H](O)[C@@]1(c2ccccc2)ON(C(C)(C)c2ccccc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClNO2/c1-18(28)25(21-12-8-5-9-13-21)23(19-14-16-22(26)17-15-19)27(29-25)24(2,3)20-10-6-4-7-11-20/h4-18,23,28H,1-3H3/t18-,23-,25+/m1/s1
InChIKeyCEIZWAWRHDEOQH-MQVPCNEGSA-N
MW407.94 g/mol
LogP5.84
Rot. Bonds5

About (1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol

(1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol (PubChem CID 101407268) has the molecular formula C25H26ClNO2 and a molecular weight of 407.94 g/mol. Its IUPAC name is (1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol
PubChem CID101407268
Molecular FormulaC25H26ClNO2
Molecular Weight407.94 g/mol
Exact Mass407.17
IUPAC Name(1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol
SMILESC[C@@H](O)[C@@]1(c2ccccc2)ON(C(C)(C)c2ccccc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClNO2/c1-18(28)25(21-12-8-5-9-13-21)23(19-14-16-22(26)17-15-19)27(29-25)24(2,3)20-10-6-4-7-11-20/h4-18,23,28H,1-3H3/t18-,23-,25+/m1/s1
InChIKeyCEIZWAWRHDEOQH-MQVPCNEGSA-N
XLogP5.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.94
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol
CID 101407270
(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
(3S,4R)-4-(4-chlorophenyl)-3-phenyl-1-propan-2-yl-3-(trifluoromethylsulfonyl)azetidin-2-one
CID 122385713
(4S)-3-[(2S)-2-(4-chlorophenyl)propanoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 102413091
(1S)-1-[(4R,5R)-5-[(1R)-1-hydroxy-2-methyl-1-phenylpropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-phenylpropan-1-ol
CID 134971352
carbanide;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;propan-2-ol;titanium
CID 14400222
(R)-[(2S,3S)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
CID 134930519
(R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
CID 134931163
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine
CID 43184848

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol?
The IUPAC name of (1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol (CID 101407268) is (1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol?
The canonical SMILES for (1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol is C[C@@H](O)[C@@]1(c2ccccc2)ON(C(C)(C)c2ccccc2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol?
The InChIKey is CEIZWAWRHDEOQH-MQVPCNEGSA-N. The full InChI is InChI=1S/C25H26ClNO2/c1-18(28)25(21-12-8-5-9-13-21)23(19-14-16-22(26)17-15-19)27(29-25)24(2,3)20-10-6-4-7-11-20/h4-18,23,28H,1-3H3/t18-,23-,25+/m1/s1.
What are the key properties of (1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol?
(1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol has a molecular weight of 407.94 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol is sourced from PubChem (CID 101407268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).