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

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Related Compounds

3-Methyl-5-piperazin-2-yl-1,2,4-oxadiazole
CID 14742608
1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
5-(Piperazin-2-yl)-1,2,4-oxadiazol-3-amine
CID 14742609
(2S)-2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269398
1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
CID 28063751
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
1-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-YL)piperazine
CID 14742613
5-(4-Methylpiperazin-2-YL)-1,2,4-oxadiazol-3-amine
CID 14742615
N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide
CID 16189997
1-[[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine
CID 62312437
N-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 29893179
2-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride
CID 50988175

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).