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

C17H24N4O2 — CID 120956694

IUPAC3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole
SMILESCC(C)COc1cccc(-c2nc(C3CNCCN3C)no2)c1
InChIInChI=1S/C17H24N4O2/c1-12(2)11-22-14-6-4-5-13(9-14)17-19-16(20-23-17)15-10-18-7-8-21(15)3/h4-6,9,12,15,18H,7-8,10-11H2,1-3H3
InChIKeyACQJGMYZNFQXRB-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.35
Rot. Bonds5

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

3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 120956694) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole
PubChem CID120956694
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole
SMILESCC(C)COc1cccc(-c2nc(C3CNCCN3C)no2)c1
InChIInChI=1S/C17H24N4O2/c1-12(2)11-22-14-6-4-5-13(9-14)17-19-16(20-23-17)15-10-18-7-8-21(15)3/h4-6,9,12,15,18H,7-8,10-11H2,1-3H3
InChIKeyACQJGMYZNFQXRB-UHFFFAOYSA-N
XLogP2.35
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120960011
5-(3-bromo-5-propan-2-yloxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961421
5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958144
3-(1-methylpiperazin-2-yl)-5-[3-(1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120961460
5-[(3-fluorophenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959053
5-(3-fluoro-4-methoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959542
N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120956116
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
5-[2-(3-methylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957592
3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 120958353
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole (CID 120956694) is 3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole is CC(C)COc1cccc(-c2nc(C3CNCCN3C)no2)c1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is ACQJGMYZNFQXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)11-22-14-6-4-5-13(9-14)17-19-16(20-23-17)15-10-18-7-8-21(15)3/h4-6,9,12,15,18H,7-8,10-11H2,1-3H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 316.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 120956694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).