2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole

C12H22N4O2 — CID 72879776

IUPAC2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(N2CCN(CCCOC)CC2)o1
InChIInChI=1S/C12H22N4O2/c1-3-11-13-14-12(18-11)16-8-6-15(7-9-16)5-4-10-17-2/h3-10H2,1-2H3
InChIKeyDXMAFHCLUBMVMW-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.79
Rot. Bonds6

About 2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole

2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole (PubChem CID 72879776) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole
PubChem CID72879776
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(N2CCN(CCCOC)CC2)o1
InChIInChI=1S/C12H22N4O2/c1-3-11-13-14-12(18-11)16-8-6-15(7-9-16)5-4-10-17-2/h3-10H2,1-2H3
InChIKeyDXMAFHCLUBMVMW-UHFFFAOYSA-N
XLogP0.79
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole (CID 72879776) is 2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole is CCc1nnc(N2CCN(CCCOC)CC2)o1.
What is the InChIKey of 2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole?
The InChIKey is DXMAFHCLUBMVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-11-13-14-12(18-11)16-8-6-15(7-9-16)5-4-10-17-2/h3-10H2,1-2H3.
What are the key properties of 2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole?
2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole has a molecular weight of 254.33 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[4-(3-methoxypropyl)piperazin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 72879776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).