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

C16H23N5O2 — CID 51104631

IUPAC2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C16H23N5O2/c22-10-9-21-14(3-6-17-21)12-4-7-20(8-5-12)11-15-18-16(19-23-15)13-1-2-13/h3,6,12-13,22H,1-2,4-5,7-11H2
InChIKeyHKZOFERFKCBFDD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.52
Rot. Bonds6

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

2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 51104631) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID51104631
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C16H23N5O2/c22-10-9-21-14(3-6-17-21)12-4-7-20(8-5-12)11-15-18-16(19-23-15)13-1-2-13/h3,6,12-13,22H,1-2,4-5,7-11H2
InChIKeyHKZOFERFKCBFDD-UHFFFAOYSA-N
XLogP1.52
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 51104631) is 2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is OCCn1nccc1C1CCN(Cc2nc(C3CC3)no2)CC1.
What is the InChIKey of 2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is HKZOFERFKCBFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c22-10-9-21-14(3-6-17-21)12-4-7-20(8-5-12)11-15-18-16(19-23-15)13-1-2-13/h3,6,12-13,22H,1-2,4-5,7-11H2.
What are the key properties of 2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 317.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 51104631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).