(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one

C17H22F3NO3 — CID 101364892

IUPAC(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one
SMILESCCC[C@H](O)[C@H](CN1C(=O)OC[C@@H]1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C17H22F3NO3/c1-2-6-15(22)14(17(18,19)20)10-21-13(11-24-16(21)23)9-12-7-4-3-5-8-12/h3-5,7-8,13-15,22H,2,6,9-11H2,1H3/t13-,14-,15-/m0/s1
InChIKeyUEOUJFYKGXBEBE-KKUMJFAQSA-N
MW345.36 g/mol
LogP3.39
Rot. Bonds7

About (4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one (PubChem CID 101364892) has the molecular formula C17H22F3NO3 and a molecular weight of 345.36 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one
PubChem CID101364892
Molecular FormulaC17H22F3NO3
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC Name(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one
SMILESCCC[C@H](O)[C@H](CN1C(=O)OC[C@@H]1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C17H22F3NO3/c1-2-6-15(22)14(17(18,19)20)10-21-13(11-24-16(21)23)9-12-7-4-3-5-8-12/h3-5,7-8,13-15,22H,2,6,9-11H2,1H3/t13-,14-,15-/m0/s1
InChIKeyUEOUJFYKGXBEBE-KKUMJFAQSA-N
XLogP3.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one
CID 101364891
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
CID 150010367
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one
CID 166525169
(4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one
CID 177137934
4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyldecanoyl]-1,3-oxazolidin-2-one
CID 129245127
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate
CID 175019030
ethyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,2-difluoro-3-methyl-4-oxobutanoate
CID 11024666
(4R)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 158224516
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one (CID 101364892) is (4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one is CCC[C@H](O)[C@H](CN1C(=O)OC[C@@H]1Cc1ccccc1)C(F)(F)F.
What is the InChIKey of (4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one?
The InChIKey is UEOUJFYKGXBEBE-KKUMJFAQSA-N. The full InChI is InChI=1S/C17H22F3NO3/c1-2-6-15(22)14(17(18,19)20)10-21-13(11-24-16(21)23)9-12-7-4-3-5-8-12/h3-5,7-8,13-15,22H,2,6,9-11H2,1H3/t13-,14-,15-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one has a molecular weight of 345.36 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101364892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).