5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

C17H25N5O2 — CID 167870953

IUPAC5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCc1cn(C2CCOCC2)nc1-c1nc(CC2CCNCC2)no1
InChIInChI=1S/C17H25N5O2/c1-12-11-22(14-4-8-23-9-5-14)20-16(12)17-19-15(21-24-17)10-13-2-6-18-7-3-13/h11,13-14,18H,2-10H2,1H3
InChIKeyOYTLFLMEOLOQMK-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.14
Rot. Bonds4

About 5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 167870953) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID167870953
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCc1cn(C2CCOCC2)nc1-c1nc(CC2CCNCC2)no1
InChIInChI=1S/C17H25N5O2/c1-12-11-22(14-4-8-23-9-5-14)20-16(12)17-19-15(21-24-17)10-13-2-6-18-7-3-13/h11,13-14,18H,2-10H2,1H3
InChIKeyOYTLFLMEOLOQMK-UHFFFAOYSA-N
XLogP2.14
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-iodo-4-methyl-1-(oxan-4-yl)pyrazole
CID 79787692
5-(oxan-4-yl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 86820422
3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 103985671
5-pyridin-4-yl-3-[[(3R)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96892691
5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56894271
5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 146064496
5-pyridin-4-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;dihydrochloride
CID 171321103
5-pyridin-4-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;trihydrochloride
CID 146050553
3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 126802196
5-bromo-6-methyl-2-(oxan-4-yl)indazole
CID 178165259
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
3-(oxolan-3-ylmethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 103985827

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (CID 167870953) is 5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is Cc1cn(C2CCOCC2)nc1-c1nc(CC2CCNCC2)no1.
What is the InChIKey of 5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is OYTLFLMEOLOQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-11-22(14-4-8-23-9-5-14)20-16(12)17-19-15(21-24-17)10-13-2-6-18-7-3-13/h11,13-14,18H,2-10H2,1H3.
What are the key properties of 5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 331.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]-3-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167870953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).