(4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one

C9H14F3NO2 — CID 10609229

IUPAC(4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H]1[C@H](C(F)(F)F)OC(=O)N1C
InChIInChI=1S/C9H14F3NO2/c1-5(2)4-6-7(9(10,11)12)15-8(14)13(6)3/h5-7H,4H2,1-3H3/t6-,7+/m0/s1
InChIKeyAMOKBPJJSGMMHG-NKWVEPMBSA-N
MW225.21 g/mol
LogP2.41
Rot. Bonds2

About (4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one

(4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 10609229) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is (4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one
PubChem CID10609229
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name(4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H]1[C@H](C(F)(F)F)OC(=O)N1C
InChIInChI=1S/C9H14F3NO2/c1-5(2)4-6-7(9(10,11)12)15-8(14)13(6)3/h5-7H,4H2,1-3H3/t6-,7+/m0/s1
InChIKeyAMOKBPJJSGMMHG-NKWVEPMBSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one (CID 10609229) is (4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one is CC(C)C[C@H]1[C@H](C(F)(F)F)OC(=O)N1C.
What is the InChIKey of (4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is AMOKBPJJSGMMHG-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-5(2)4-6-7(9(10,11)12)15-8(14)13(6)3/h5-7H,4H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
(4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 225.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10609229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).