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

C10H18N4O — CID 82705500

IUPAC3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(CN2CCNC[C@@H]2C)n1
InChIInChI=1S/C10H18N4O/c1-3-9-12-10(15-13-9)7-14-5-4-11-6-8(14)2/h8,11H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyXQADNSSGLBLBER-QMMMGPOBSA-N
MW210.28 g/mol
LogP0.43
Rot. Bonds3

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

3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 82705500) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID82705500
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(CN2CCNC[C@@H]2C)n1
InChIInChI=1S/C10H18N4O/c1-3-9-12-10(15-13-9)7-14-5-4-11-6-8(14)2/h8,11H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyXQADNSSGLBLBER-QMMMGPOBSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 82705500) is 3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is CCc1noc(CN2CCNC[C@@H]2C)n1.
What is the InChIKey of 3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is XQADNSSGLBLBER-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-9-12-10(15-13-9)7-14-5-4-11-6-8(14)2/h8,11H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-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 3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 82705500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).