2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C10H18N4O — CID 65449208

IUPAC2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCNC(C)C2)o1
InChIInChI=1S/C10H18N4O/c1-3-9-12-13-10(15-9)7-14-5-4-11-8(2)6-14/h8,11H,3-7H2,1-2H3
InChIKeySCZGCGLIVSTFAL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.43
Rot. Bonds3

About 2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 65449208) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID65449208
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCNC(C)C2)o1
InChIInChI=1S/C10H18N4O/c1-3-9-12-13-10(15-9)7-14-5-4-11-8(2)6-14/h8,11H,3-7H2,1-2H3
InChIKeySCZGCGLIVSTFAL-UHFFFAOYSA-N
XLogP0.43
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 65449208) is 2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is CCc1nnc(CN2CCNC(C)C2)o1.
What is the InChIKey of 2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is SCZGCGLIVSTFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-9-12-13-10(15-9)7-14-5-4-11-8(2)6-14/h8,11H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 210.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 65449208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).