3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole

C17H22N4O — CID 120958353

IUPAC3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C17H22N4O/c1-21-9-8-18-11-15(21)16-19-17(22-20-16)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10,15,18H,2-5,8-9,11H2,1H3
InChIKeyULEXHDTWFCNMRY-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.19
Rot. Bonds2

About 3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole

3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole (PubChem CID 120958353) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
PubChem CID120958353
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C17H22N4O/c1-21-9-8-18-11-15(21)16-19-17(22-20-16)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10,15,18H,2-5,8-9,11H2,1H3
InChIKeyULEXHDTWFCNMRY-UHFFFAOYSA-N
XLogP2.19
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961614
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
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 120960456
3-(1-methylpiperazin-2-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957261
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142
5-(3-fluoro-4-methoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959542
3-(1-methylpiperazin-2-yl)-5-[4-(methylsulfanylmethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120955943
5-(4-methyl-3-methylsulfonylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958697
3-(1-methylpiperazin-2-yl)-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120960011
3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 120957840
5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958144

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole (CID 120958353) is 3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole is CN1CCNCC1c1noc(-c2ccc3c(c2)CCCC3)n1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole?
The InChIKey is ULEXHDTWFCNMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21-9-8-18-11-15(21)16-19-17(22-20-16)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10,15,18H,2-5,8-9,11H2,1H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole has a molecular weight of 298.39 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120958353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).