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

C15H23N5O3 — CID 110019383

IUPAC2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCOCc1nc(CN2CCC(c3ccnn3CCO)CC2)no1
InChIInChI=1S/C15H23N5O3/c1-22-11-15-17-14(18-23-15)10-19-6-3-12(4-7-19)13-2-5-16-20(13)8-9-21/h2,5,12,21H,3-4,6-11H2,1H3
InChIKeyNCXBKJBYQGNQIU-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.78
Rot. Bonds7

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

2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 110019383) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID110019383
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCOCc1nc(CN2CCC(c3ccnn3CCO)CC2)no1
InChIInChI=1S/C15H23N5O3/c1-22-11-15-17-14(18-23-15)10-19-6-3-12(4-7-19)13-2-5-16-20(13)8-9-21/h2,5,12,21H,3-4,6-11H2,1H3
InChIKeyNCXBKJBYQGNQIU-UHFFFAOYSA-N
XLogP0.78
TPSA89.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[1-[[5-(methoxymethyl)-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-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 86877009
methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate
CID 110913158
5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 135106283
2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104609
2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 94814243
2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104580
2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104601
2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110913125
1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 110019482
[(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
CID 97141044
4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol
CID 60506197
4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol
CID 60506257

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 110019383) is 2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is COCc1nc(CN2CCC(c3ccnn3CCO)CC2)no1.
What is the InChIKey of 2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is NCXBKJBYQGNQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-22-11-15-17-14(18-23-15)10-19-6-3-12(4-7-19)13-2-5-16-20(13)8-9-21/h2,5,12,21H,3-4,6-11H2,1H3.
What are the key properties of 2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 321.38 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110019383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).