5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole

C13H22N4O — CID 63343286

IUPAC5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1noc(C2CC2C)n1)N1CCNCC1
InChIInChI=1S/C13H22N4O/c1-3-11(17-6-4-14-5-7-17)12-15-13(18-16-12)10-8-9(10)2/h9-11,14H,3-8H2,1-2H3
InChIKeyRLMSVTABJUSUDH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.55
Rot. Bonds4

About 5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole

5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole (PubChem CID 63343286) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
PubChem CID63343286
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1noc(C2CC2C)n1)N1CCNCC1
InChIInChI=1S/C13H22N4O/c1-3-11(17-6-4-14-5-7-17)12-15-13(18-16-12)10-8-9(10)2/h9-11,14H,3-8H2,1-2H3
InChIKeyRLMSVTABJUSUDH-UHFFFAOYSA-N
XLogP1.55
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole (CID 63343286) is 5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole is CCC(c1noc(C2CC2C)n1)N1CCNCC1.
What is the InChIKey of 5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is RLMSVTABJUSUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11(17-6-4-14-5-7-17)12-15-13(18-16-12)10-8-9(10)2/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole has a molecular weight of 250.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63343286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).