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

C17H24F3NO5 — CID 10571754

IUPAC2-methylprop-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=C(C)COC(=O)C[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C)C(F)(F)F
InChIInChI=1S/C17H24F3NO5/c1-9(2)7-25-14(22)6-12(17(18,19)20)11(5)15(23)21-13(10(3)4)8-26-16(21)24/h10-13H,1,6-8H2,2-5H3/t11-,12-,13-/m1/s1
InChIKeyZNOUSSXZTLHXRA-JHJVBQTASA-N
MW379.38 g/mol
LogP3.31
Rot. Bonds7

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

2-methylprop-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 10571754) has the molecular formula C17H24F3NO5 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-methylprop-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 Name2-methylprop-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 CID10571754
Molecular FormulaC17H24F3NO5
Molecular Weight379.38 g/mol
Exact Mass379.16
IUPAC Name2-methylprop-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=C(C)COC(=O)C[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C)C(F)(F)F
InChIInChI=1S/C17H24F3NO5/c1-9(2)7-25-14(22)6-12(17(18,19)20)11(5)15(23)21-13(10(3)4)8-26-16(21)24/h10-13H,1,6-8H2,2-5H3/t11-,12-,13-/m1/s1
InChIKeyZNOUSSXZTLHXRA-JHJVBQTASA-N
XLogP3.31
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.31
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 2-methylprop-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 2-methylprop-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 10571754) is 2-methylprop-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 2-methylprop-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 2-methylprop-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=C(C)COC(=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 2-methylprop-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 ZNOUSSXZTLHXRA-JHJVBQTASA-N. The full InChI is InChI=1S/C17H24F3NO5/c1-9(2)7-25-14(22)6-12(17(18,19)20)11(5)15(23)21-13(10(3)4)8-26-16(21)24/h10-13H,1,6-8H2,2-5H3/t11-,12-,13-/m1/s1.
What are the key properties of 2-methylprop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
2-methylprop-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 379.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-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 10571754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).