5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C13H24N4O — CID 63874621

IUPAC5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CN(Cc2noc(C(C)(C)C)n2)CC(C)N1
InChIInChI=1S/C13H24N4O/c1-9-6-17(7-10(2)14-9)8-11-15-12(18-16-11)13(3,4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyFGUFBNUGJWBLHY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds2

About 5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 63874621) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID63874621
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CN(Cc2noc(C(C)(C)C)n2)CC(C)N1
InChIInChI=1S/C13H24N4O/c1-9-6-17(7-10(2)14-9)8-11-15-12(18-16-11)13(3,4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyFGUFBNUGJWBLHY-UHFFFAOYSA-N
XLogP1.55
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
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-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 63874621) is 5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CC1CN(Cc2noc(C(C)(C)C)n2)CC(C)N1.
What is the InChIKey of 5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is FGUFBNUGJWBLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9-6-17(7-10(2)14-9)8-11-15-12(18-16-11)13(3,4)5/h9-10,14H,6-8H2,1-5H3.
What are the key properties of 5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 252.36 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 63874621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).