3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole

C14H24N4O — CID 120960751

IUPAC3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C3CNCCN3C)no2)CCC1
InChIInChI=1S/C14H24N4O/c1-3-5-14(6-4-7-14)13-16-12(17-19-13)11-10-15-8-9-18(11)2/h11,15H,3-10H2,1-2H3
InChIKeyUGLFRAORJMRMCT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.87
Rot. Bonds4

About 3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole

3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 120960751) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole
PubChem CID120960751
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C3CNCCN3C)no2)CCC1
InChIInChI=1S/C14H24N4O/c1-3-5-14(6-4-7-14)13-16-12(17-19-13)11-10-15-8-9-18(11)2/h11,15H,3-10H2,1-2H3
InChIKeyUGLFRAORJMRMCT-UHFFFAOYSA-N
XLogP1.87
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylcyclopropyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65421668
5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956580
5-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958308
3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807232
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65329250
5-[1-(3-chlorophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956834
5-[1-(3-methylphenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956347
3-(3-methylcyclohexyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125853
3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807805
2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971782
3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137913
3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole
CID 120957974

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole (CID 120960751) is 3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole is CCCC1(c2nc(C3CNCCN3C)no2)CCC1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is UGLFRAORJMRMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-5-14(6-4-7-14)13-16-12(17-19-13)11-10-15-8-9-18(11)2/h11,15H,3-10H2,1-2H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 264.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120960751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).