(2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide

C8H11F3N2O3 — CID 46844713

IUPAC(2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide
SMILESCNC(=O)[C@@H]1CO[C@@H](C(F)(F)F)N1C(C)=O
InChIInChI=1S/C8H11F3N2O3/c1-4(14)13-5(6(15)12-2)3-16-7(13)8(9,10)11/h5,7H,3H2,1-2H3,(H,12,15)/t5-,7-/m0/s1
InChIKeyQYMSFIJNUSPYNV-FSPLSTOPSA-N
MW240.18 g/mol
LogP-0.13
Rot. Bonds1

About (2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide

(2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 46844713) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is (2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID46844713
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name(2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide
SMILESCNC(=O)[C@@H]1CO[C@@H](C(F)(F)F)N1C(C)=O
InChIInChI=1S/C8H11F3N2O3/c1-4(14)13-5(6(15)12-2)3-16-7(13)8(9,10)11/h5,7H,3H2,1-2H3,(H,12,15)/t5-,7-/m0/s1
InChIKeyQYMSFIJNUSPYNV-FSPLSTOPSA-N
XLogP-0.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide (CID 46844713) is (2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide is CNC(=O)[C@@H]1CO[C@@H](C(F)(F)F)N1C(C)=O.
What is the InChIKey of (2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is QYMSFIJNUSPYNV-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c1-4(14)13-5(6(15)12-2)3-16-7(13)8(9,10)11/h5,7H,3H2,1-2H3,(H,12,15)/t5-,7-/m0/s1.
What are the key properties of (2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide?
(2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 240.18 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-acetyl-N-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46844713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).