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

C17H27N5O2 — CID 51104621

IUPAC2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCC(C)(C)c1nc(CN2CCC(c3ccnn3CCO)CC2)no1
InChIInChI=1S/C17H27N5O2/c1-17(2,3)16-19-15(20-24-16)12-21-8-5-13(6-9-21)14-4-7-18-22(14)10-11-23/h4,7,13,23H,5-6,8-12H2,1-3H3
InChIKeyBFAUTNKZFAHJKP-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.94
Rot. Bonds5

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

2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 51104621) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID51104621
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCC(C)(C)c1nc(CN2CCC(c3ccnn3CCO)CC2)no1
InChIInChI=1S/C17H27N5O2/c1-17(2,3)16-19-15(20-24-16)12-21-8-5-13(6-9-21)14-4-7-18-22(14)10-11-23/h4,7,13,23H,5-6,8-12H2,1-3H3
InChIKeyBFAUTNKZFAHJKP-UHFFFAOYSA-N
XLogP1.94
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[5-[1-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104555
2-[5-[1-[(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104611
2-[5-[1-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104631
2-[5-[1-[(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104632
2-[5-[1-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104633
2-[5-[1-[(3-Propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104634
5-Isopropyl-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-YL]methyl}-N-methylpyrazolo[1,5-A]pyrimidin-7-amine
CID 56881858
3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 164632342
(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
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 123804754
5-[(2R)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129534592
2-[3-(1-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-3-yl)-1H-pyrazol-1-yl]ethanol
CID 119066157

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 51104621) is 2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is CC(C)(C)c1nc(CN2CCC(c3ccnn3CCO)CC2)no1.
What is the InChIKey of 2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is BFAUTNKZFAHJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-17(2,3)16-19-15(20-24-16)12-21-8-5-13(6-9-21)14-4-7-18-22(14)10-11-23/h4,7,13,23H,5-6,8-12H2,1-3H3.
What are the key properties of 2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 333.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 51104621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).