5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole

C15H26N4O2 — CID 79756111

IUPAC5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
SMILESCCCC(c1noc(C2CCOC2C)n1)N1CCNCC1
InChIInChI=1S/C15H26N4O2/c1-3-4-13(19-8-6-16-7-9-19)14-17-15(21-18-14)12-5-10-20-11(12)2/h11-13,16H,3-10H2,1-2H3
InChIKeyFBKVVIZXLSIZMC-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.71
Rot. Bonds5

About 5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole

5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole (PubChem CID 79756111) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
PubChem CID79756111
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
SMILESCCCC(c1noc(C2CCOC2C)n1)N1CCNCC1
InChIInChI=1S/C15H26N4O2/c1-3-4-13(19-8-6-16-7-9-19)14-17-15(21-18-14)12-5-10-20-11(12)2/h11-13,16H,3-10H2,1-2H3
InChIKeyFBKVVIZXLSIZMC-UHFFFAOYSA-N
XLogP1.71
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343286
3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole
CID 103095548
5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342938
3-(1-piperazin-1-ylbutyl)-5-pyridazin-4-yl-1,2,4-oxadiazole
CID 104672191
3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
CID 102922597
1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435494
5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 107182956
5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342855
3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole
CID 63342810
1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634765
4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine
CID 55201806
2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972028

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole (CID 79756111) is 5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole is CCCC(c1noc(C2CCOC2C)n1)N1CCNCC1.
What is the InChIKey of 5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
The InChIKey is FBKVVIZXLSIZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-4-13(19-8-6-16-7-9-19)14-17-15(21-18-14)12-5-10-20-11(12)2/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole has a molecular weight of 294.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79756111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).