3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride

C14H20ClN5O2 — CID 120893788

IUPAC3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1cn(C2CCCNC2)nc1-c1nc(C2CCCO2)no1
InChIInChI=1S/C14H19N5O2.ClH/c1-3-10(9-15-6-1)19-7-5-11(17-19)14-16-13(18-21-14)12-4-2-8-20-12;/h5,7,10,12,15H,1-4,6,8-9H2;1H
InChIKeyHCNXEBKBDVKWFW-UHFFFAOYSA-N
MW325.80 g/mol
LogP2.13
Rot. Bonds3

About 3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride

3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120893788) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120893788
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1cn(C2CCCNC2)nc1-c1nc(C2CCCO2)no1
InChIInChI=1S/C14H19N5O2.ClH/c1-3-10(9-15-6-1)19-7-5-11(17-19)14-16-13(18-21-14)12-4-2-8-20-12;/h5,7,10,12,15H,1-4,6,8-9H2;1H
InChIKeyHCNXEBKBDVKWFW-UHFFFAOYSA-N
XLogP2.13
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841250
3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841635
3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120893864
3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120836378
N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120835209
3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120838813
methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 120842283
3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120833998
3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120833760
3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559126
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65331224
2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971807

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride (CID 120893788) is 3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride is Cl.c1cn(C2CCCNC2)nc1-c1nc(C2CCCO2)no1.
What is the InChIKey of 3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is HCNXEBKBDVKWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.ClH/c1-3-10(9-15-6-1)19-7-5-11(17-19)14-16-13(18-21-14)12-4-2-8-20-12;/h5,7,10,12,15H,1-4,6,8-9H2;1H.
What are the key properties of 3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120893788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).