(2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol

C15H23F3N2O2 — CID 164633157

IUPAC(2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nc(C)c(CN2CCC([C@](C)(O)C(F)(F)F)CC2)o1
InChIInChI=1S/C15H23F3N2O2/c1-4-13-19-10(2)12(22-13)9-20-7-5-11(6-8-20)14(3,21)15(16,17)18/h11,21H,4-9H2,1-3H3/t14-/m0/s1
InChIKeySAQJBEUULYSVND-AWEZNQCLSA-N
MW320.36 g/mol
LogP3.07
Rot. Bonds4

About (2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol

(2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 164633157) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is (2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID164633157
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Name(2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nc(C)c(CN2CCC([C@](C)(O)C(F)(F)F)CC2)o1
InChIInChI=1S/C15H23F3N2O2/c1-4-13-19-10(2)12(22-13)9-20-7-5-11(6-8-20)14(3,21)15(16,17)18/h11,21H,4-9H2,1-3H3/t14-/m0/s1
InChIKeySAQJBEUULYSVND-AWEZNQCLSA-N
XLogP3.07
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 164639100
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110714822
1-[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112327004
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 132303801
(2,5-Dimethyl-1,3-oxazol-4-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 137974925
2-Ethyl-4-methyl-5-[[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 137988668
1-[(2,5-Dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
CID 138032720
2-[1-[(2,5-Dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
CID 138032774
4-[[3,3-Dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole
CID 138032784
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 154739091
(2-Ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 154759336
4-[(4-Tert-butylpiperidin-1-yl)methyl]-2,5-dimethyl-1,3-oxazole
CID 172172482

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol (CID 164633157) is (2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol is CCc1nc(C)c(CN2CCC([C@](C)(O)C(F)(F)F)CC2)o1.
What is the InChIKey of (2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is SAQJBEUULYSVND-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23F3N2O2/c1-4-13-19-10(2)12(22-13)9-20-7-5-11(6-8-20)14(3,21)15(16,17)18/h11,21H,4-9H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol?
(2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 320.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 164633157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).