5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C18H24N4O — CID 120758089

IUPAC5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1ccc(C2CNCCN2Cc2noc(C3CC3)n2)cc1
InChIInChI=1S/C18H24N4O/c1-2-13-3-5-14(6-4-13)16-11-19-9-10-22(16)12-17-20-18(23-21-17)15-7-8-15/h3-6,15-16,19H,2,7-12H2,1H3
InChIKeyKTNUBWHZSOWRCT-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.66
Rot. Bonds5

About 5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 120758089) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID120758089
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1ccc(C2CNCCN2Cc2noc(C3CC3)n2)cc1
InChIInChI=1S/C18H24N4O/c1-2-13-3-5-14(6-4-13)16-11-19-9-10-22(16)12-17-20-18(23-21-17)15-7-8-15/h3-6,15-16,19H,2,7-12H2,1H3
InChIKeyKTNUBWHZSOWRCT-UHFFFAOYSA-N
XLogP2.66
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120758056
5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120758013
5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120755250
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
3-tert-butyl-5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120758116
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
CID 120758162
2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120769026
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 120769012
2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine
CID 120757831
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 120758089) is 5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CCc1ccc(C2CNCCN2Cc2noc(C3CC3)n2)cc1.
What is the InChIKey of 5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is KTNUBWHZSOWRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-13-3-5-14(6-4-13)16-11-19-9-10-22(16)12-17-20-18(23-21-17)15-7-8-15/h3-6,15-16,19H,2,7-12H2,1H3.
What are the key properties of 5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 312.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 120758089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).