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

C16H22F3NO5 — CID 10642574

IUPACprop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
SMILESC=CCOC(=O)C[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C)C(F)(F)F
InChIInChI=1S/C16H22F3NO5/c1-5-6-24-13(21)7-11(16(17,18)19)10(4)14(22)20-12(9(2)3)8-25-15(20)23/h5,9-12H,1,6-8H2,2-4H3/t10-,11-,12-/m1/s1
InChIKeyOWBCPRDEOYHOEN-IJLUTSLNSA-N
MW365.35 g/mol
LogP2.92
Rot. Bonds7

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

prop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate (PubChem CID 10642574) has the molecular formula C16H22F3NO5 and a molecular weight of 365.35 g/mol. Its IUPAC name is prop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate.

Molecular Properties

Compound Nameprop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
PubChem CID10642574
Molecular FormulaC16H22F3NO5
Molecular Weight365.35 g/mol
Exact Mass365.15
IUPAC Nameprop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
SMILESC=CCOC(=O)C[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C)C(F)(F)F
InChIInChI=1S/C16H22F3NO5/c1-5-6-24-13(21)7-11(16(17,18)19)10(4)14(22)20-12(9(2)3)8-25-15(20)23/h5,9-12H,1,6-8H2,2-4H3/t10-,11-,12-/m1/s1
InChIKeyOWBCPRDEOYHOEN-IJLUTSLNSA-N
XLogP2.92
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
The IUPAC name of prop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate (CID 10642574) is prop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate.
What is the SMILES notation for prop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
The canonical SMILES for prop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate is C=CCOC(=O)C[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C)C(F)(F)F.
What is the InChIKey of prop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
The InChIKey is OWBCPRDEOYHOEN-IJLUTSLNSA-N. The full InChI is InChI=1S/C16H22F3NO5/c1-5-6-24-13(21)7-11(16(17,18)19)10(4)14(22)20-12(9(2)3)8-25-15(20)23/h5,9-12H,1,6-8H2,2-4H3/t10-,11-,12-/m1/s1.
What are the key properties of prop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
prop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate has a molecular weight of 365.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate is sourced from PubChem (CID 10642574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).