[(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate

C14H16F3NO3 — CID 58618256

IUPAC[(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1ON(C)[C@H](c2ccccc2)[C@H]1C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-9(19)20-8-11-12(14(15,16)17)13(18(2)21-11)10-6-4-3-5-7-10/h3-7,11-13H,8H2,1-2H3/t11-,12-,13+/m0/s1
InChIKeyHGZPOCPXLYXDBT-RWMBFGLXSA-N
MW303.28 g/mol
LogP2.71
Rot. Bonds3

About [(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate

[(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate (PubChem CID 58618256) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is [(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate.

Molecular Properties

Compound Name[(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate
PubChem CID58618256
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name[(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1ON(C)[C@H](c2ccccc2)[C@H]1C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-9(19)20-8-11-12(14(15,16)17)13(18(2)21-11)10-6-4-3-5-7-10/h3-7,11-13H,8H2,1-2H3/t11-,12-,13+/m0/s1
InChIKeyHGZPOCPXLYXDBT-RWMBFGLXSA-N
XLogP2.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate?
The IUPAC name of [(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate (CID 58618256) is [(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate.
What is the SMILES notation for [(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate?
The canonical SMILES for [(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate is CC(=O)OC[C@@H]1ON(C)[C@H](c2ccccc2)[C@H]1C(F)(F)F.
What is the InChIKey of [(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate?
The InChIKey is HGZPOCPXLYXDBT-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9(19)20-8-11-12(14(15,16)17)13(18(2)21-11)10-6-4-3-5-7-10/h3-7,11-13H,8H2,1-2H3/t11-,12-,13+/m0/s1.
What are the key properties of [(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate?
[(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate has a molecular weight of 303.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate is sourced from PubChem (CID 58618256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).