5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole

C15H28N4O — CID 47039405

IUPAC5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCN(CCC(C)C)CC2)n1
InChIInChI=1S/C15H28N4O/c1-4-5-14-16-15(20-17-14)12-19-10-8-18(9-11-19)7-6-13(2)3/h13H,4-12H2,1-3H3
InChIKeyKDOBRKJXZXFZMZ-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.19
Rot. Bonds7

About 5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole

5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 47039405) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID47039405
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCN(CCC(C)C)CC2)n1
InChIInChI=1S/C15H28N4O/c1-4-5-14-16-15(20-17-14)12-19-10-8-18(9-11-19)7-6-13(2)3/h13H,4-12H2,1-3H3
InChIKeyKDOBRKJXZXFZMZ-UHFFFAOYSA-N
XLogP2.19
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole (CID 47039405) is 5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CN2CCN(CCC(C)C)CC2)n1.
What is the InChIKey of 5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is KDOBRKJXZXFZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-5-14-16-15(20-17-14)12-19-10-8-18(9-11-19)7-6-13(2)3/h13H,4-12H2,1-3H3.
What are the key properties of 5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 280.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 47039405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).