3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole

C13H24N4O — CID 160629261

IUPAC3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(N2CCN(C(C)(C)C)CC2)no1
InChIInChI=1S/C13H24N4O/c1-10(2)11-14-12(15-18-11)16-6-8-17(9-7-16)13(3,4)5/h10H,6-9H2,1-5H3
InChIKeyRHSCQFPGKXAHGO-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.11
Rot. Bonds2

About 3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole

3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 160629261) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID160629261
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(N2CCN(C(C)(C)C)CC2)no1
InChIInChI=1S/C13H24N4O/c1-10(2)11-14-12(15-18-11)16-6-8-17(9-7-16)13(3,4)5/h10H,6-9H2,1-5H3
InChIKeyRHSCQFPGKXAHGO-UHFFFAOYSA-N
XLogP2.11
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole (CID 160629261) is 3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(N2CCN(C(C)(C)C)CC2)no1.
What is the InChIKey of 3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is RHSCQFPGKXAHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)11-14-12(15-18-11)16-6-8-17(9-7-16)13(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole?
3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 252.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 160629261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).