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

C16H22N4O2 — CID 120958661

IUPAC5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCCOC(c1ccccc1)c1nc(C2CNCCN2C)no1
InChIInChI=1S/C16H22N4O2/c1-3-21-14(12-7-5-4-6-8-12)16-18-15(19-22-16)13-11-17-9-10-20(13)2/h4-8,13-14,17H,3,9-11H2,1-2H3
InChIKeyQQWKKPZDGWVCAI-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.77
Rot. Bonds5

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

5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120958661) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120958661
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCCOC(c1ccccc1)c1nc(C2CNCCN2C)no1
InChIInChI=1S/C16H22N4O2/c1-3-21-14(12-7-5-4-6-8-12)16-18-15(19-22-16)13-11-17-9-10-20(13)2/h4-8,13-14,17H,3,9-11H2,1-2H3
InChIKeyQQWKKPZDGWVCAI-UHFFFAOYSA-N
XLogP1.77
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957055
3-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]butanamide;hydrochloride
CID 120956333
3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride
CID 120960732
5-[1-(3-fluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961479
3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride
CID 120959938
5-[1-(3-methylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958508
3-(1-methylpiperazin-2-yl)-5-[1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-oxadiazole
CID 120960367
5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957648
5-(1-but-3-enoxyethyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956363
5-isoquinolin-1-yl-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961025
3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole
CID 120957974
2,2,2-trifluoro-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylethanamine;hydrochloride
CID 120957011

Frequently Asked Questions

What is the IUPAC name of 5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120958661) is 5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CCOC(c1ccccc1)c1nc(C2CNCCN2C)no1.
What is the InChIKey of 5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is QQWKKPZDGWVCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-21-14(12-7-5-4-6-8-12)16-18-15(19-22-16)13-11-17-9-10-20(13)2/h4-8,13-14,17H,3,9-11H2,1-2H3.
What are the key properties of 5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 302.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120958661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).