3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one

C15H26N4O2 — CID 136519514

IUPAC3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one
SMILESCC(C)c1nnc(CCC(=O)N2CC(C)N(C)CC2C)o1
InChIInChI=1S/C15H26N4O2/c1-10(2)15-17-16-13(21-15)6-7-14(20)19-9-11(3)18(5)8-12(19)4/h10-12H,6-9H2,1-5H3
InChIKeyOTOPUEHCQIEJOJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.68
Rot. Bonds4

About 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one (PubChem CID 136519514) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one
PubChem CID136519514
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one
SMILESCC(C)c1nnc(CCC(=O)N2CC(C)N(C)CC2C)o1
InChIInChI=1S/C15H26N4O2/c1-10(2)15-17-16-13(21-15)6-7-14(20)19-9-11(3)18(5)8-12(19)4/h10-12H,6-9H2,1-5H3
InChIKeyOTOPUEHCQIEJOJ-UHFFFAOYSA-N
XLogP1.68
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one (CID 136519514) is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one is CC(C)c1nnc(CCC(=O)N2CC(C)N(C)CC2C)o1.
What is the InChIKey of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one?
The InChIKey is OTOPUEHCQIEJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)15-17-16-13(21-15)6-7-14(20)19-9-11(3)18(5)8-12(19)4/h10-12H,6-9H2,1-5H3.
What are the key properties of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one?
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one has a molecular weight of 294.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 136519514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).