ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate

C14H20F3NO5 — CID 134905637

IUPACethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
SMILESCCOC(=O)C[C@@H](CC(=O)N1C(=O)OC[C@@H]1C(C)C)C(F)(F)F
InChIInChI=1S/C14H20F3NO5/c1-4-22-12(20)6-9(14(15,16)17)5-11(19)18-10(8(2)3)7-23-13(18)21/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyGYJHWHYNPQPODA-NXEZZACHSA-N
MW339.31 g/mol
LogP2.51
Rot. Bonds6

About ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate

ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate (PubChem CID 134905637) has the molecular formula C14H20F3NO5 and a molecular weight of 339.31 g/mol. Its IUPAC name is ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate.

Molecular Properties

Compound Nameethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
PubChem CID134905637
Molecular FormulaC14H20F3NO5
Molecular Weight339.31 g/mol
Exact Mass339.13
IUPAC Nameethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
SMILESCCOC(=O)C[C@@H](CC(=O)N1C(=O)OC[C@@H]1C(C)C)C(F)(F)F
InChIInChI=1S/C14H20F3NO5/c1-4-22-12(20)6-9(14(15,16)17)5-11(19)18-10(8(2)3)7-23-13(18)21/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyGYJHWHYNPQPODA-NXEZZACHSA-N
XLogP2.51
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
The IUPAC name of ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate (CID 134905637) is ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate.
What is the SMILES notation for ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
The canonical SMILES for ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate is CCOC(=O)C[C@@H](CC(=O)N1C(=O)OC[C@@H]1C(C)C)C(F)(F)F.
What is the InChIKey of ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
The InChIKey is GYJHWHYNPQPODA-NXEZZACHSA-N. The full InChI is InChI=1S/C14H20F3NO5/c1-4-22-12(20)6-9(14(15,16)17)5-11(19)18-10(8(2)3)7-23-13(18)21/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate has a molecular weight of 339.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate is sourced from PubChem (CID 134905637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).