(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one

C19H24F3NO3 — CID 102486710

IUPAC(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one
SMILESCCCC[C@@H](C(=O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H24F3NO3/c1-4-5-11-14(19(20,21)22)16(24)23-15(18(2,3)26-17(23)25)12-13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyACXRSCCYDZEHHT-GJZGRUSLSA-N
MW371.40 g/mol
LogP4.72
Rot. Bonds6

About (4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one (PubChem CID 102486710) has the molecular formula C19H24F3NO3 and a molecular weight of 371.40 g/mol. Its IUPAC name is (4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one
PubChem CID102486710
Molecular FormulaC19H24F3NO3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one
SMILESCCCC[C@@H](C(=O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H24F3NO3/c1-4-5-11-14(19(20,21)22)16(24)23-15(18(2,3)26-17(23)25)12-13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyACXRSCCYDZEHHT-GJZGRUSLSA-N
XLogP4.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
3-[6-[4-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145970283
(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone
CID 10966403
(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 132155630
1,1-Dimethylethyl (4S)-2,5-dioxo-4-(phenylmethyl)-3-oxazolidinecarboxylate
CID 10935183
(4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one
CID 11616218
(4S)-3-(4,4,4-Trifluorocrotonoyl)-4beta-benzyloxazolidine-2-one
CID 10379977
R62Tjm8EK3
CID 10915654
(4R)-4-benzyl-3-[(2S,3R)-2-benzyl-3-fluoropent-4-enoyl]-1,3-oxazolidin-2-one
CID 11566827

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one (CID 102486710) is (4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one is CCCC[C@@H](C(=O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1)C(F)(F)F.
What is the InChIKey of (4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one?
The InChIKey is ACXRSCCYDZEHHT-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H24F3NO3/c1-4-5-11-14(19(20,21)22)16(24)23-15(18(2,3)26-17(23)25)12-13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one has a molecular weight of 371.40 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-(trifluoromethyl)hexanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102486710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).