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

C15H21N5O2 — CID 120956822

IUPAC3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole
SMILESCC(C)Oc1cccc(-c2nc(C3CNCCN3C)no2)n1
InChIInChI=1S/C15H21N5O2/c1-10(2)21-13-6-4-5-11(17-13)15-18-14(19-22-15)12-9-16-7-8-20(12)3/h4-6,10,12,16H,7-9H2,1-3H3
InChIKeyORZXLINIXBHOGM-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.49
Rot. Bonds4

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

3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 120956822) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID120956822
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole
SMILESCC(C)Oc1cccc(-c2nc(C3CNCCN3C)no2)n1
InChIInChI=1S/C15H21N5O2/c1-10(2)21-13-6-4-5-11(17-13)15-18-14(19-22-15)12-9-16-7-8-20(12)3/h4-6,10,12,16H,7-9H2,1-3H3
InChIKeyORZXLINIXBHOGM-UHFFFAOYSA-N
XLogP1.49
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole
CID 120956162
5-(3-bromo-5-propan-2-yloxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961421
6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride
CID 120958039
3-(1-methylpiperazin-2-yl)-5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 120960263
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
3-(1-methylpiperazin-2-yl)-5-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 120957910
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
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960912

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole (CID 120956822) is 3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole is CC(C)Oc1cccc(-c2nc(C3CNCCN3C)no2)n1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is ORZXLINIXBHOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10(2)21-13-6-4-5-11(17-13)15-18-14(19-22-15)12-9-16-7-8-20(12)3/h4-6,10,12,16H,7-9H2,1-3H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 303.37 g/mol, XLogP of 1.49, 4 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-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120956822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).