5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole

C13H20N6O — CID 103121926

IUPAC5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCn1ccc(-c2nc(C(C)(C)N3CCNCC3)no2)n1
InChIInChI=1S/C13H20N6O/c1-13(2,19-8-5-14-6-9-19)12-15-11(20-17-12)10-4-7-18(3)16-10/h4,7,14H,5-6,8-9H2,1-3H3
InChIKeyRLRASIBQUHUYGX-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.61
Rot. Bonds3

About 5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole

5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 103121926) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID103121926
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCn1ccc(-c2nc(C(C)(C)N3CCNCC3)no2)n1
InChIInChI=1S/C13H20N6O/c1-13(2,19-8-5-14-6-9-19)12-15-11(20-17-12)10-4-7-18(3)16-10/h4,7,14H,5-6,8-9H2,1-3H3
InChIKeyRLRASIBQUHUYGX-UHFFFAOYSA-N
XLogP0.61
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 63343116
1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine
CID 112709168
3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 63343418
3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 63343458
5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
CID 63342811
4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342953
4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342955
7-methyl-2-(2-piperazin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989777
3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65196262
cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 103121818
N-methyl-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 103121877
1-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 103121999

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole (CID 103121926) is 5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole is Cn1ccc(-c2nc(C(C)(C)N3CCNCC3)no2)n1.
What is the InChIKey of 5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is RLRASIBQUHUYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-13(2,19-8-5-14-6-9-19)12-15-11(20-17-12)10-4-7-18(3)16-10/h4,7,14H,5-6,8-9H2,1-3H3.
What are the key properties of 5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole?
5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 276.34 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 103121926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).