(4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H20F3NO5 — CID 102172049

IUPAC(4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H]1[C@H](c2ccccc2)OC(=O)C[C@@H]1C(F)(F)F
InChIInChI=1S/C19H20F3NO5/c1-10(2)13-9-27-18(26)23(13)17(25)15-12(19(20,21)22)8-14(24)28-16(15)11-6-4-3-5-7-11/h3-7,10,12-13,15-16H,8-9H2,1-2H3/t12-,13+,15+,16-/m0/s1
InChIKeyDVYMLGJMJWTSNW-XNISGKROSA-N
MW399.37 g/mol
LogP3.47
Rot. Bonds3

About (4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 102172049) has the molecular formula C19H20F3NO5 and a molecular weight of 399.37 g/mol. Its IUPAC name is (4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID102172049
Molecular FormulaC19H20F3NO5
Molecular Weight399.37 g/mol
Exact Mass399.13
IUPAC Name(4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H]1[C@H](c2ccccc2)OC(=O)C[C@@H]1C(F)(F)F
InChIInChI=1S/C19H20F3NO5/c1-10(2)13-9-27-18(26)23(13)17(25)15-12(19(20,21)22)8-14(24)28-16(15)11-6-4-3-5-7-11/h3-7,10,12-13,15-16H,8-9H2,1-2H3/t12-,13+,15+,16-/m0/s1
InChIKeyDVYMLGJMJWTSNW-XNISGKROSA-N
XLogP3.47
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
tert-butyl (3R,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11005272
3,3-Difluoropyrrolidine-1,2-dicarboxylic acid 1-benzyl 2-tert-butyl ester
CID 118865475
2-O-benzyl 1-O-tert-butyl (2S,4S)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylate
CID 11078764
O2-benzyl O1-tert-butyl (2S,4S)-4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylate
CID 11760513
(4S)-3-[(2R)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15238249
ethyl (3R,4R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-4-phenylmethoxy-3-(trifluoromethyl)pentanoate
CID 15721031
(4S)-3-[(2S,3S,4R)-6-oxo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102172055
ethyl (3S,4S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-4-phenylmethoxy-3-(trifluoromethyl)pentanoate
CID 134905124
benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate
CID 135063460
1-O-benzyl 2-O-methyl (2R,3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxylate
CID 162405563
(4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363114

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 102172049) is (4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)[C@H]1[C@H](c2ccccc2)OC(=O)C[C@@H]1C(F)(F)F.
What is the InChIKey of (4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is DVYMLGJMJWTSNW-XNISGKROSA-N. The full InChI is InChI=1S/C19H20F3NO5/c1-10(2)13-9-27-18(26)23(13)17(25)15-12(19(20,21)22)8-14(24)28-16(15)11-6-4-3-5-7-11/h3-7,10,12-13,15-16H,8-9H2,1-2H3/t12-,13+,15+,16-/m0/s1.
What are the key properties of (4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 399.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102172049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).