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

C21H27N5O4 — CID 86877009

IUPAC2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCOc1ccc(-c2noc(CN3CCC(c4ccnn4CCO)CC3)n2)cc1OC
InChIInChI=1S/C21H27N5O4/c1-28-18-4-3-16(13-19(18)29-2)21-23-20(30-24-21)14-25-9-6-15(7-10-25)17-5-8-22-26(17)11-12-27/h3-5,8,13,15,27H,6-7,9-12,14H2,1-2H3
InChIKeyRDTUMPNGHNGLDE-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.32
Rot. Bonds8

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

2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 86877009) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID86877009
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCOc1ccc(-c2noc(CN3CCC(c4ccnn4CCO)CC3)n2)cc1OC
InChIInChI=1S/C21H27N5O4/c1-28-18-4-3-16(13-19(18)29-2)21-23-20(30-24-21)14-25-9-6-15(7-10-25)17-5-8-22-26(17)11-12-27/h3-5,8,13,15,27H,6-7,9-12,14H2,1-2H3
InChIKeyRDTUMPNGHNGLDE-UHFFFAOYSA-N
XLogP2.32
TPSA98.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 26518855
3-(3,4-dimethoxyphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 2980841
2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110019383
[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541245
N-(3,4-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922837
N-cyclopropyl-2-[4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 55409263
(2R)-4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 33026906
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 38150611
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994634
N-[3-(azepan-1-yl)propyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922951
ethyl 4-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 40975774
[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 26773043

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 86877009) is 2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is COc1ccc(-c2noc(CN3CCC(c4ccnn4CCO)CC3)n2)cc1OC.
What is the InChIKey of 2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is RDTUMPNGHNGLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-28-18-4-3-16(13-19(18)29-2)21-23-20(30-24-21)14-25-9-6-15(7-10-25)17-5-8-22-26(17)11-12-27/h3-5,8,13,15,27H,6-7,9-12,14H2,1-2H3.
What are the key properties of 2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 413.48 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 86877009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).