2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C15H24N4O — CID 75463945

IUPAC2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESC1CC(c2nnc(CN3CCN(C4CCC4)CC3)o2)C1
InChIInChI=1S/C15H24N4O/c1-3-12(4-1)15-17-16-14(20-15)11-18-7-9-19(10-8-18)13-5-2-6-13/h12-13H,1-11H2
InChIKeyPIGVMEFVZYVOBU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds4

About 2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 75463945) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID75463945
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESC1CC(c2nnc(CN3CCN(C4CCC4)CC3)o2)C1
InChIInChI=1S/C15H24N4O/c1-3-12(4-1)15-17-16-14(20-15)11-18-7-9-19(10-8-18)13-5-2-6-13/h12-13H,1-11H2
InChIKeyPIGVMEFVZYVOBU-UHFFFAOYSA-N
XLogP2.01
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 75463945) is 2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is C1CC(c2nnc(CN3CCN(C4CCC4)CC3)o2)C1.
What is the InChIKey of 2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is PIGVMEFVZYVOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-12(4-1)15-17-16-14(20-15)11-18-7-9-19(10-8-18)13-5-2-6-13/h12-13H,1-11H2.
What are the key properties of 2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 276.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 75463945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).