5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride

C21H30ClN5O2 — CID 142718995

IUPAC5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCOCCCN1CCC(c2nc(-n3nc(C(C)C)c4ccccc43)no2)CC1.Cl
InChIInChI=1S/C21H29N5O2.ClH/c1-15(2)19-17-7-4-5-8-18(17)26(23-19)21-22-20(28-24-21)16-9-12-25(13-10-16)11-6-14-27-3;/h4-5,7-8,15-16H,6,9-14H2,1-3H3;1H
InChIKeyGCBURNDKPWXYMO-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.17
Rot. Bonds7

About 5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride

5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 142718995) has the molecular formula C21H30ClN5O2 and a molecular weight of 419.96 g/mol. Its IUPAC name is 5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID142718995
Molecular FormulaC21H30ClN5O2
Molecular Weight419.96 g/mol
Exact Mass419.21
IUPAC Name5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCOCCCN1CCC(c2nc(-n3nc(C(C)C)c4ccccc43)no2)CC1.Cl
InChIInChI=1S/C21H29N5O2.ClH/c1-15(2)19-17-7-4-5-8-18(17)26(23-19)21-22-20(28-24-21)16-9-12-25(13-10-16)11-6-14-27-3;/h4-5,7-8,15-16H,6,9-14H2,1-3H3;1H
InChIKeyGCBURNDKPWXYMO-UHFFFAOYSA-N
XLogP4.17
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine
CID 71113030
tert-butyl 3-[3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 142719018
N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide
CID 71113032
5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole
CID 71491701
5-[1-(azetidin-3-ylmethyl)piperidin-4-yl]-3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole
CID 71112378
2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 86711256
2-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-oxoacetic acid
CID 71112508
2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 140634985
5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 51087893
tert-butyl 4-[3-(6,7-difluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142718934
1-[4-[[[3-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]amino]methyl]piperidin-1-yl]ethanone
CID 142718946
3-(3-methylindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 71090117

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride (CID 142718995) is 5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride is COCCCN1CCC(c2nc(-n3nc(C(C)C)c4ccccc43)no2)CC1.Cl.
What is the InChIKey of 5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is GCBURNDKPWXYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2.ClH/c1-15(2)19-17-7-4-5-8-18(17)26(23-19)21-22-20(28-24-21)16-9-12-25(13-10-16)11-6-14-27-3;/h4-5,7-8,15-16H,6,9-14H2,1-3H3;1H.
What are the key properties of 5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride?
5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 419.96 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 142718995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).