3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one

C20H24F3N5O2 — CID 146329064

IUPAC3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1C[C@@H](NCCN2CCOC2=O)CN(c2ccc(C(F)(F)F)c3nccnc23)C1
InChIInChI=1S/C20H24F3N5O2/c1-13-10-14(24-6-7-27-8-9-30-19(27)29)12-28(11-13)16-3-2-15(20(21,22)23)17-18(16)26-5-4-25-17/h2-5,13-14,24H,6-12H2,1H3/t13-,14+/m0/s1
InChIKeyRTZHMLSKSYSGRC-UONOGXRCSA-N
MW423.44 g/mol
LogP2.91
Rot. Bonds5

About 3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one

3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 146329064) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID146329064
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1C[C@@H](NCCN2CCOC2=O)CN(c2ccc(C(F)(F)F)c3nccnc23)C1
InChIInChI=1S/C20H24F3N5O2/c1-13-10-14(24-6-7-27-8-9-30-19(27)29)12-28(11-13)16-3-2-15(20(21,22)23)17-18(16)26-5-4-25-17/h2-5,13-14,24H,6-12H2,1H3/t13-,14+/m0/s1
InChIKeyRTZHMLSKSYSGRC-UONOGXRCSA-N
XLogP2.91
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one (CID 146329064) is 3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one is C[C@H]1C[C@@H](NCCN2CCOC2=O)CN(c2ccc(C(F)(F)F)c3nccnc23)C1.
What is the InChIKey of 3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is RTZHMLSKSYSGRC-UONOGXRCSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-13-10-14(24-6-7-27-8-9-30-19(27)29)12-28(11-13)16-3-2-15(20(21,22)23)17-18(16)26-5-4-25-17/h2-5,13-14,24H,6-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of 3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 423.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146329064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).