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

C14H21N5O2 — CID 51104555

IUPAC2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCc1noc(CN2CCC(c3ccnn3CCO)CC2)n1
InChIInChI=1S/C14H21N5O2/c1-11-16-14(21-17-11)10-18-6-3-12(4-7-18)13-2-5-15-19(13)8-9-20/h2,5,12,20H,3-4,6-10H2,1H3
InChIKeyQPTCGZIGBRXQTO-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.95
Rot. Bonds5

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

2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 51104555) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID51104555
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCc1noc(CN2CCC(c3ccnn3CCO)CC2)n1
InChIInChI=1S/C14H21N5O2/c1-11-16-14(21-17-11)10-18-6-3-12(4-7-18)13-2-5-15-19(13)8-9-20/h2,5,12,20H,3-4,6-10H2,1H3
InChIKeyQPTCGZIGBRXQTO-UHFFFAOYSA-N
XLogP0.95
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.95
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-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 51104555) is 2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is Cc1noc(CN2CCC(c3ccnn3CCO)CC2)n1.
What is the InChIKey of 2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is QPTCGZIGBRXQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11-16-14(21-17-11)10-18-6-3-12(4-7-18)13-2-5-15-19(13)8-9-20/h2,5,12,20H,3-4,6-10H2,1H3.
What are the key properties of 2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 291.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 51104555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).