(4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one

C16H23NO4 — CID 139252385

IUPAC(4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@@H](OCc1ccccc1)[C@H](O)[C@@H]1COC(=O)N1
InChIInChI=1S/C16H23NO4/c1-16(2,3)14(13(18)12-10-21-15(19)17-12)20-9-11-7-5-4-6-8-11/h4-8,12-14,18H,9-10H2,1-3H3,(H,17,19)/t12-,13+,14-/m0/s1
InChIKeyAEZVNYWCVWZNRV-MJBXVCDLSA-N
MW293.36 g/mol
LogP2.09
Rot. Bonds5

About (4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one

(4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one (PubChem CID 139252385) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one
PubChem CID139252385
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@@H](OCc1ccccc1)[C@H](O)[C@@H]1COC(=O)N1
InChIInChI=1S/C16H23NO4/c1-16(2,3)14(13(18)12-10-21-15(19)17-12)20-9-11-7-5-4-6-8-11/h4-8,12-14,18H,9-10H2,1-3H3,(H,17,19)/t12-,13+,14-/m0/s1
InChIKeyAEZVNYWCVWZNRV-MJBXVCDLSA-N
XLogP2.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-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

benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
CID 10958326
ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
CID 10912347
[(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate
CID 15923967
[(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate
CID 90291631
(2R,3R)-2-hydroxy-4,4-dimethyl-3-phenylmethoxypentanenitrile
CID 101030359
[(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid
CID 67412266
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
benzyl (4S)-2-oxo-1,3-oxazinane-4-carboxylate
CID 59668959
benzyl 2-hydroxy-3,3-dimethylbutanoate
CID 15070303
(2R)-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydro-1H-pyridin-6-one
CID 24905698
benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate
CID 166253195
[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one (CID 139252385) is (4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one is CC(C)(C)[C@@H](OCc1ccccc1)[C@H](O)[C@@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one?
The InChIKey is AEZVNYWCVWZNRV-MJBXVCDLSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)14(13(18)12-10-21-15(19)17-12)20-9-11-7-5-4-6-8-11/h4-8,12-14,18H,9-10H2,1-3H3,(H,17,19)/t12-,13+,14-/m0/s1.
What are the key properties of (4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one?
(4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one has a molecular weight of 293.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139252385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).