2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol

C14H18F3N5O2 — CID 126437286

About 2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol

2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 126437286) has the molecular formula C14H18F3N5O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
• PubChem CID: 126437286
• Molecular Formula: C14H18F3N5O2
• Molecular Weight: 345.33 g/mol
• Exact Mass: 345.14
• IUPAC Name: 2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
• SMILES: OCCn1ccc([C@H]2CCCN(Cc3nc(C(F)(F)F)no3)C2)n1
• InChI: InChI=1S/C14H18F3N5O2/c15-14(16,17)13-18-12(24-20-13)9-21-4-1-2-10(8-21)11-3-5-22(19-11)6-7-23/h3,5,10,23H,1-2,4,6-9H2/t10-/m0/s1
• InChIKey: CFMAIGQQKJQOAQ-JTQLQIEISA-N
• XLogP: 1.66
• TPSA: 80.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.33
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?

The IUPAC name of 2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol (CID 126437286) is 2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol.

What is the SMILES notation for 2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?

The canonical SMILES for 2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol is OCCn1ccc([C@H]2CCCN(Cc3nc(C(F)(F)F)no3)C2)n1.

What is the InChIKey of 2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?

The InChIKey is CFMAIGQQKJQOAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F3N5O2/c15-14(16,17)13-18-12(24-20-13)9-21-4-1-2-10(8-21)11-3-5-22(19-11)6-7-23/h3,5,10,23H,1-2,4,6-9H2/t10-/m0/s1.

What are the key properties of 2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?

2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 345.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 126437286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).