5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole

C15H24N6O — CID 129484536

IUPAC5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCn1nccc1CCN1CCN(C)[C@@H](c2nc(C)no2)C1
InChIInChI=1S/C15H24N6O/c1-4-21-13(5-7-16-21)6-8-20-10-9-19(3)14(11-20)15-17-12(2)18-22-15/h5,7,14H,4,6,8-11H2,1-3H3/t14-/m1/s1
InChIKeyNYJQSILCXQFRAV-CQSZACIVSA-N
MW304.40 g/mol
LogP1.13
Rot. Bonds5

About 5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 129484536) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID129484536
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCn1nccc1CCN1CCN(C)[C@@H](c2nc(C)no2)C1
InChIInChI=1S/C15H24N6O/c1-4-21-13(5-7-16-21)6-8-20-10-9-19(3)14(11-20)15-17-12(2)18-22-15/h5,7,14H,4,6,8-11H2,1-3H3/t14-/m1/s1
InChIKeyNYJQSILCXQFRAV-CQSZACIVSA-N
XLogP1.13
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 129484536) is 5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole is CCn1nccc1CCN1CCN(C)[C@@H](c2nc(C)no2)C1.
What is the InChIKey of 5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is NYJQSILCXQFRAV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-21-13(5-7-16-21)6-8-20-10-9-19(3)14(11-20)15-17-12(2)18-22-15/h5,7,14H,4,6,8-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 304.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129484536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).