3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole

C18H26N4O2 — CID 50961018

IUPAC3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCCc1ccccc1OCCN1CCN(Cc2noc(C)n2)CC1
InChIInChI=1S/C18H26N4O2/c1-3-16-6-4-5-7-17(16)23-13-12-21-8-10-22(11-9-21)14-18-19-15(2)24-20-18/h4-7H,3,8-14H2,1-2H3
InChIKeyCERWLPAKWUSDPT-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.14
Rot. Bonds7

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

3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 50961018) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID50961018
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCCc1ccccc1OCCN1CCN(Cc2noc(C)n2)CC1
InChIInChI=1S/C18H26N4O2/c1-3-16-6-4-5-7-17(16)23-13-12-21-8-10-22(11-9-21)14-18-19-15(2)24-20-18/h4-7H,3,8-14H2,1-2H3
InChIKeyCERWLPAKWUSDPT-UHFFFAOYSA-N
XLogP2.14
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 56803236
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 113248221
5-methyl-3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 87014214
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone
CID 110613411
5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 97317023
5-methyl-3-[[4-[(2S)-2-phenylpropyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99449132
1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359827
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
CID 77088646
3-[[4-[(2-chloroquinolin-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 75524387

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 50961018) is 3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is CCc1ccccc1OCCN1CCN(Cc2noc(C)n2)CC1.
What is the InChIKey of 3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is CERWLPAKWUSDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-16-6-4-5-7-17(16)23-13-12-21-8-10-22(11-9-21)14-18-19-15(2)24-20-18/h4-7H,3,8-14H2,1-2H3.
What are the key properties of 3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 330.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 50961018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).