(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one

C15H18F3N5O3 — CID 118167065

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCc1nc(-n2nccc2C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)no1
InChIInChI=1S/C15H18F3N5O3/c1-9-20-13(21-26-9)23-11(3-6-19-23)10-4-7-22(8-5-10)12(24)14(2,25)15(16,17)18/h3,6,10,25H,4-5,7-8H2,1-2H3/t14-/m1/s1
InChIKeyCPQDCPWVASVRMV-CQSZACIVSA-N
MW373.34 g/mol
LogP1.58
Rot. Bonds3

About (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 118167065) has the molecular formula C15H18F3N5O3 and a molecular weight of 373.34 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
PubChem CID118167065
Molecular FormulaC15H18F3N5O3
Molecular Weight373.34 g/mol
Exact Mass373.14
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCc1nc(-n2nccc2C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)no1
InChIInChI=1S/C15H18F3N5O3/c1-9-20-13(21-26-9)23-11(3-6-19-23)10-4-7-22(8-5-10)12(24)14(2,25)15(16,17)18/h3,6,10,25H,4-5,7-8H2,1-2H3/t14-/m1/s1
InChIKeyCPQDCPWVASVRMV-CQSZACIVSA-N
XLogP1.58
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (CID 118167065) is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is Cc1nc(-n2nccc2C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)no1.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is CPQDCPWVASVRMV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18F3N5O3/c1-9-20-13(21-26-9)23-11(3-6-19-23)10-4-7-22(8-5-10)12(24)14(2,25)15(16,17)18/h3,6,10,25H,4-5,7-8H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 373.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118167065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).