(3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one

C24H31NO2 — CID 10428929

IUPAC(3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one
SMILESC[C@@H](CC(=O)N1[C@@H](Cc2ccccc2)C(C)(C)OC1(C)C)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-18(20-14-10-7-11-15-20)16-22(26)25-21(17-19-12-8-6-9-13-19)23(2,3)27-24(25,4)5/h6-15,18,21H,16-17H2,1-5H3/t18-,21-/m0/s1
InChIKeyYAZHIBDMCVXQBG-RXVVDRJESA-N
MW365.52 g/mol
LogP5.16
Rot. Bonds5

About (3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one

(3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one (PubChem CID 10428929) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name(3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one
PubChem CID10428929
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one
SMILESC[C@@H](CC(=O)N1[C@@H](Cc2ccccc2)C(C)(C)OC1(C)C)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-18(20-14-10-7-11-15-20)16-22(26)25-21(17-19-12-8-6-9-13-19)23(2,3)27-24(25,4)5/h6-15,18,21H,16-17H2,1-5H3/t18-,21-/m0/s1
InChIKeyYAZHIBDMCVXQBG-RXVVDRJESA-N
XLogP5.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one 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

1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone
CID 10979179
(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10937055
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
(4R)-4-benzyl-3-(2-chloroacetyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 11594357
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
(3S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenylbutan-1-one
CID 129471018
(3S,4S)-4-methyl-1-(3-phenylbutanoyl)pyrrolidine-3-carboxylic acid
CID 120951995
3-(4-fluorophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one
CID 55924108
(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
CID 100948287
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one?
The IUPAC name of (3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one (CID 10428929) is (3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one.
What is the SMILES notation for (3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one?
The canonical SMILES for (3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one is C[C@@H](CC(=O)N1[C@@H](Cc2ccccc2)C(C)(C)OC1(C)C)c1ccccc1.
What is the InChIKey of (3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one?
The InChIKey is YAZHIBDMCVXQBG-RXVVDRJESA-N. The full InChI is InChI=1S/C24H31NO2/c1-18(20-14-10-7-11-15-20)16-22(26)25-21(17-19-12-8-6-9-13-19)23(2,3)27-24(25,4)5/h6-15,18,21H,16-17H2,1-5H3/t18-,21-/m0/s1.
What are the key properties of (3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one?
(3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one has a molecular weight of 365.52 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 10428929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).