ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one

C15H23F3N2O2 — CID 143049847

IUPACethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC.CC(C)C.O=C1OCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H7F3N2O2.C4H10.C2H6/c10-9(11,12)6-1-2-7(13-5-6)14-3-4-16-8(14)15;1-4(2)3;1-2/h1-2,5H,3-4H2;4H,1-3H3;1-2H3
InChIKeyLWUNLJGJVSSZAX-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.75
Rot. Bonds1

About ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one

ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 143049847) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID143049847
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Nameethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC.CC(C)C.O=C1OCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H7F3N2O2.C4H10.C2H6/c10-9(11,12)6-1-2-7(13-5-6)14-3-4-16-8(14)15;1-4(2)3;1-2/h1-2,5H,3-4H2;4H,1-3H3;1-2H3
InChIKeyLWUNLJGJVSSZAX-UHFFFAOYSA-N
XLogP4.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285907
3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 170609039
4-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-1-one
CID 78772282
(7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118700929
3-(5-propan-2-ylpyrimidin-2-yl)-1,3-oxazolidin-2-one
CID 177130197
5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine
CID 155742359
4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282533
3-[2-[[(1S)-1-(4-tert-butylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285288
N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278
3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 112556092

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 143049847) is ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one is CC.CC(C)C.O=C1OCCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is LWUNLJGJVSSZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2.C4H10.C2H6/c10-9(11,12)6-1-2-7(13-5-6)14-3-4-16-8(14)15;1-4(2)3;1-2/h1-2,5H,3-4H2;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 320.36 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143049847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).