(4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one

C12H13F3N2O2 — CID 11334818

IUPAC(4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N2O2/c1-7(2)9-6-19-11(18)17(9)10-4-3-8(5-16-10)12(13,14)15/h3-5,7,9H,6H2,1-2H3/t9-/m1/s1
InChIKeyDUCZVULYAHOAKD-SECBINFHSA-N
MW274.24 g/mol
LogP3.08
Rot. Bonds2

About (4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 11334818) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID11334818
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name(4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N2O2/c1-7(2)9-6-19-11(18)17(9)10-4-3-8(5-16-10)12(13,14)15/h3-5,7,9H,6H2,1-2H3/t9-/m1/s1
InChIKeyDUCZVULYAHOAKD-SECBINFHSA-N
XLogP3.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-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)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 11334818) is (4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is DUCZVULYAHOAKD-SECBINFHSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-7(2)9-6-19-11(18)17(9)10-4-3-8(5-16-10)12(13,14)15/h3-5,7,9H,6H2,1-2H3/t9-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 274.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11334818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).