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

C18H29N5O2 — CID 94814243

IUPAC2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCCCCc1noc([C@H](C)N2CCC(c3ccnn3CCO)CC2)n1
InChIInChI=1S/C18H29N5O2/c1-3-4-5-17-20-18(25-21-17)14(2)22-10-7-15(8-11-22)16-6-9-19-23(16)12-13-24/h6,9,14-15,24H,3-5,7-8,10-13H2,1-2H3/t14-/m0/s1
InChIKeyGADQAHFGMNAVAP-AWEZNQCLSA-N
MW347.46 g/mol
LogP2.54
Rot. Bonds8

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

2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 94814243) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID94814243
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCCCCc1noc([C@H](C)N2CCC(c3ccnn3CCO)CC2)n1
InChIInChI=1S/C18H29N5O2/c1-3-4-5-17-20-18(25-21-17)14(2)22-10-7-15(8-11-22)16-6-9-19-23(16)12-13-24/h6,9,14-15,24H,3-5,7-8,10-13H2,1-2H3/t14-/m0/s1
InChIKeyGADQAHFGMNAVAP-AWEZNQCLSA-N
XLogP2.54
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 86773475
2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104609
[1-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 51080710
2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104580
1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000693
2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110019383
[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94405866
(1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
CID 95294032
1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone
CID 94028365
N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide
CID 86877003
1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol
CID 111461981
2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
CID 95139617

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 94814243) is 2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol is CCCCc1noc([C@H](C)N2CCC(c3ccnn3CCO)CC2)n1.
What is the InChIKey of 2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is GADQAHFGMNAVAP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-4-5-17-20-18(25-21-17)14(2)22-10-7-15(8-11-22)16-6-9-19-23(16)12-13-24/h6,9,14-15,24H,3-5,7-8,10-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 347.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 94814243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).