5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole

C14H26N4O — CID 64978789

IUPAC5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCC1CN(Cc2nc(C(C)C)no2)C(CC)CN1
InChIInChI=1S/C14H26N4O/c1-5-11-8-18(12(6-2)7-15-11)9-13-16-14(10(3)4)17-19-13/h10-12,15H,5-9H2,1-4H3
InChIKeyCEYVGUWBEAELBZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.16
Rot. Bonds5

About 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 64978789) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID64978789
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCC1CN(Cc2nc(C(C)C)no2)C(CC)CN1
InChIInChI=1S/C14H26N4O/c1-5-11-8-18(12(6-2)7-15-11)9-13-16-14(10(3)4)17-19-13/h10-12,15H,5-9H2,1-4H3
InChIKeyCEYVGUWBEAELBZ-UHFFFAOYSA-N
XLogP2.16
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 64978637
5-cyclopropyl-3-[(2,5-diethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 64978825
4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 64978673
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile
CID 79085368
3-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 64946354
2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 64977800
2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 80606647
3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 64978654
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63848184
3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 63256689
[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 113319990

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 64978789) is 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is CCC1CN(Cc2nc(C(C)C)no2)C(CC)CN1.
What is the InChIKey of 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is CEYVGUWBEAELBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-11-8-18(12(6-2)7-15-11)9-13-16-14(10(3)4)17-19-13/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 266.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 64978789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).