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

C13H24N4O — CID 155265008

IUPAC3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole
SMILESCc1noc(CCC(C)CN2CCN(C)CC2)n1
InChIInChI=1S/C13H24N4O/c1-11(4-5-13-14-12(2)15-18-13)10-17-8-6-16(3)7-9-17/h11H,4-10H2,1-3H3
InChIKeyIDQLVHBGNDWIHR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.19
Rot. Bonds5

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

3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole (PubChem CID 155265008) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole
PubChem CID155265008
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole
SMILESCc1noc(CCC(C)CN2CCN(C)CC2)n1
InChIInChI=1S/C13H24N4O/c1-11(4-5-13-14-12(2)15-18-13)10-17-8-6-16(3)7-9-17/h11H,4-10H2,1-3H3
InChIKeyIDQLVHBGNDWIHR-UHFFFAOYSA-N
XLogP1.19
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889111
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103914423
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116808973
(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111488176
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 106421375
5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 86804175
1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine
CID 146233129
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106414020
3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole
CID 130670162
N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 114186320
3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 163350275

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole (CID 155265008) is 3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole is Cc1noc(CCC(C)CN2CCN(C)CC2)n1.
What is the InChIKey of 3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole?
The InChIKey is IDQLVHBGNDWIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(4-5-13-14-12(2)15-18-13)10-17-8-6-16(3)7-9-17/h11H,4-10H2,1-3H3.
What are the key properties of 3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole?
3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole has a molecular weight of 252.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155265008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).