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

C12H12F3NO2 — CID 118602022

IUPAC(4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C2OC(=O)N[C@H]2C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c1-6-3-8(5-9(4-6)12(13,14)15)10-7(2)16-11(17)18-10/h3-5,7,10H,1-2H3,(H,16,17)/t7-,10?/m0/s1
InChIKeyKWERKIVNHSHFJG-BYDSUWOYSA-N
MW259.23 g/mol
LogP3.18
Rot. Bonds1

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

(4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 118602022) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is (4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID118602022
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name(4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C2OC(=O)N[C@H]2C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c1-6-3-8(5-9(4-6)12(13,14)15)10-7(2)16-11(17)18-10/h3-5,7,10H,1-2H3,(H,16,17)/t7-,10?/m0/s1
InChIKeyKWERKIVNHSHFJG-BYDSUWOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 118602022) is (4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is Cc1cc(C2OC(=O)N[C@H]2C)cc(C(F)(F)F)c1.
What is the InChIKey of (4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KWERKIVNHSHFJG-BYDSUWOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-6-3-8(5-9(4-6)12(13,14)15)10-7(2)16-11(17)18-10/h3-5,7,10H,1-2H3,(H,16,17)/t7-,10?/m0/s1.
What are the key properties of (4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 259.23 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118602022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).