(4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one

C16H18F3NO3 — CID 71477837

IUPAC(4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H18F3NO3/c1-2-12(16(17,18)19)9-14(21)20-13(10-23-15(20)22)8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m1/s1
InChIKeyQWYPUTXEAJMDJP-OLZOCXBDSA-N
MW329.32 g/mol
LogP3.56
Rot. Bonds5

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

(4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one (PubChem CID 71477837) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one
PubChem CID71477837
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name(4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H18F3NO3/c1-2-12(16(17,18)19)9-14(21)20-13(10-23-15(20)22)8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m1/s1
InChIKeyQWYPUTXEAJMDJP-OLZOCXBDSA-N
XLogP3.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Oxazolidineacetic acid, 2,5-dioxo-alpha-(2-phenylethyl)-4-[4-[(trifluoroacetyl)amino]butyl]-, ethyl ester, [S-(R*,R*)]-
CID 102269401
(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
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
Locostatin
CID 5702600
4-Benzyl-2,2-dimethyl-3-propionyl-1,3-oxazolidine
CID 11842087
3-[6-[4-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145970283
4-Benzyl-3-crotonyl-2-oxazolidinone
CID 6383358

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one (CID 71477837) is (4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one is CC[C@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(F)(F)F.
What is the InChIKey of (4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is QWYPUTXEAJMDJP-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H18F3NO3/c1-2-12(16(17,18)19)9-14(21)20-13(10-23-15(20)22)8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of (4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 329.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(3R)-3-(trifluoromethyl)pentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71477837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).