[(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol

C25H27NO3 — CID 101407263

IUPAC[(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol
SMILESCOc1ccc([C@@H]2N(C(C)(C)c3ccccc3)O[C@]2(CO)c2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-24(2,20-10-6-4-7-11-20)26-23(19-14-16-22(28-3)17-15-19)25(18-27,29-26)21-12-8-5-9-13-21/h4-17,23,27H,18H2,1-3H3/t23-,25+/m0/s1
InChIKeyHARTWOMNSWXPJW-UKILVPOCSA-N
MW389.50 g/mol
LogP4.81
Rot. Bonds6

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

[(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol (PubChem CID 101407263) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is [(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol
PubChem CID101407263
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name[(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol
SMILESCOc1ccc([C@@H]2N(C(C)(C)c3ccccc3)O[C@]2(CO)c2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-24(2,20-10-6-4-7-11-20)26-23(19-14-16-22(28-3)17-15-19)25(18-27,29-26)21-12-8-5-9-13-21/h4-17,23,27H,18H2,1-3H3/t23-,25+/m0/s1
InChIKeyHARTWOMNSWXPJW-UKILVPOCSA-N
XLogP4.81
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2R,3S)-4-ethyl-3-(4-methoxyphenyl)-2-phenylmorpholin-2-ol
CID 92859022
[(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol
CID 141365538
(S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol
CID 101407270
(2S,3R)-2-fluoro-3-(4-methoxyphenyl)-1,2-diphenylaziridine
CID 11544255
3-(4-methoxyphenyl)-1,2,2-trimethylaziridine
CID 162398178
(2S,3S)-4-ethyl-2-(4-methoxyphenyl)-3-phenylmorpholin-2-ol
CID 92858701
[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
CID 177492101
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
[(4S,5S)-5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-bis(4-methoxyphenyl)methanol
CID 22847896
2-(4-methoxyanilino)-1,1-diphenylethanol
CID 101160453
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol?
The IUPAC name of [(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol (CID 101407263) is [(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol.
What is the SMILES notation for [(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol?
The canonical SMILES for [(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol is COc1ccc([C@@H]2N(C(C)(C)c3ccccc3)O[C@]2(CO)c2ccccc2)cc1.
What is the InChIKey of [(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol?
The InChIKey is HARTWOMNSWXPJW-UKILVPOCSA-N. The full InChI is InChI=1S/C25H27NO3/c1-24(2,20-10-6-4-7-11-20)26-23(19-14-16-22(28-3)17-15-19)25(18-27,29-26)21-12-8-5-9-13-21/h4-17,23,27H,18H2,1-3H3/t23-,25+/m0/s1.
What are the key properties of [(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol?
[(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol has a molecular weight of 389.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol is sourced from PubChem (CID 101407263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).