3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole

C16H22N6O — CID 120957840

IUPAC3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2ccc(N3CCCC3)nc2)n1
InChIInChI=1S/C16H22N6O/c1-21-9-6-17-11-13(21)15-19-16(23-20-15)12-4-5-14(18-10-12)22-7-2-3-8-22/h4-5,10,13,17H,2-3,6-9,11H2,1H3
InChIKeyHQDMOSCGXRFWLO-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.31
Rot. Bonds3

About 3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole

3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 120957840) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID120957840
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2ccc(N3CCCC3)nc2)n1
InChIInChI=1S/C16H22N6O/c1-21-9-6-17-11-13(21)15-19-16(23-20-15)12-4-5-14(18-10-12)22-7-2-3-8-22/h4-5,10,13,17H,2-3,6-9,11H2,1H3
InChIKeyHQDMOSCGXRFWLO-UHFFFAOYSA-N
XLogP1.31
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957007
3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 120958353
3-(1-methylpiperazin-2-yl)-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120960011
5-imidazo[1,2-a]pyridin-6-yl-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957845
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-[4-(1,3-dithian-2-yl)phenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958918
3-(1-methylpiperazin-2-yl)-5-[4-(methylsulfanylmethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120955943
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-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120960614

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 120957840) is 3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole is CN1CCNCC1c1noc(-c2ccc(N3CCCC3)nc2)n1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is HQDMOSCGXRFWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-21-9-6-17-11-13(21)15-19-16(23-20-15)12-4-5-14(18-10-12)22-7-2-3-8-22/h4-5,10,13,17H,2-3,6-9,11H2,1H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 314.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120957840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).