[3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone

C15H17F3N2O2 — CID 155250745

IUPAC[3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone
SMILESO=C([C@@H]1CCNC[C@H]1F)N1OCCC1c1cc(F)cc(F)c1
InChIInChI=1S/C15H17F3N2O2/c16-10-5-9(6-11(17)7-10)14-2-4-22-20(14)15(21)12-1-3-19-8-13(12)18/h5-7,12-14,19H,1-4,8H2/t12-,13-,14?/m1/s1
InChIKeySPFHYMLTESRELB-ZFXTZCCVSA-N
MW314.31 g/mol
LogP2.12
Rot. Bonds2

About [3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone

[3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone (PubChem CID 155250745) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone
PubChem CID155250745
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name[3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone
SMILESO=C([C@@H]1CCNC[C@H]1F)N1OCCC1c1cc(F)cc(F)c1
InChIInChI=1S/C15H17F3N2O2/c16-10-5-9(6-11(17)7-10)14-2-4-22-20(14)15(21)12-1-3-19-8-13(12)18/h5-7,12-14,19H,1-4,8H2/t12-,13-,14?/m1/s1
InChIKeySPFHYMLTESRELB-ZFXTZCCVSA-N
XLogP2.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone?
The IUPAC name of [3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone (CID 155250745) is [3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone.
What is the SMILES notation for [3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone?
The canonical SMILES for [3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone is O=C([C@@H]1CCNC[C@H]1F)N1OCCC1c1cc(F)cc(F)c1.
What is the InChIKey of [3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone?
The InChIKey is SPFHYMLTESRELB-ZFXTZCCVSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-10-5-9(6-11(17)7-10)14-2-4-22-20(14)15(21)12-1-3-19-8-13(12)18/h5-7,12-14,19H,1-4,8H2/t12-,13-,14?/m1/s1.
What are the key properties of [3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone?
[3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone has a molecular weight of 314.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4S)-3-fluoropiperidin-4-yl]methanone is sourced from PubChem (CID 155250745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).