5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C19H28N4O3 — CID 120958144

IUPAC5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCCCOc1ccc(-c2nc(C3CNCCN3C)no2)cc1OCCC
InChIInChI=1S/C19H28N4O3/c1-4-10-24-16-7-6-14(12-17(16)25-11-5-2)19-21-18(22-26-19)15-13-20-8-9-23(15)3/h6-7,12,15,20H,4-5,8-11,13H2,1-3H3
InChIKeyFPSAYBQLOFBENR-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.89
Rot. Bonds8

About 5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120958144) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120958144
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCCCOc1ccc(-c2nc(C3CNCCN3C)no2)cc1OCCC
InChIInChI=1S/C19H28N4O3/c1-4-10-24-16-7-6-14(12-17(16)25-11-5-2)19-21-18(22-26-19)15-13-20-8-9-23(15)3/h6-7,12,15,20H,4-5,8-11,13H2,1-3H3
InChIKeyFPSAYBQLOFBENR-UHFFFAOYSA-N
XLogP2.89
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-methoxy-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide;hydrochloride
CID 120958852
5-(3-fluoro-4-methoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959542
3-(1-methylpiperazin-2-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957261
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole
CID 120956694
3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 120958353
5-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961614
3-(1-methylpiperazin-2-yl)-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120960011
5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957648
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142
3-(1-methylpiperazin-2-yl)-5-[2-(2-phenoxyethoxy)phenyl]-1,2,4-oxadiazole
CID 120959055

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120958144) is 5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CCCOc1ccc(-c2nc(C3CNCCN3C)no2)cc1OCCC.
What is the InChIKey of 5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is FPSAYBQLOFBENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-4-10-24-16-7-6-14(12-17(16)25-11-5-2)19-21-18(22-26-19)15-13-20-8-9-23(15)3/h6-7,12,15,20H,4-5,8-11,13H2,1-3H3.
What are the key properties of 5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 360.46 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120958144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).