3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole

C14H22N6O2 — CID 120956118

IUPAC3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1OCc1nc(C2CNCCN2C)no1
InChIInChI=1S/C14H22N6O2/c1-9-13(10(2)20(4)17-9)21-8-12-16-14(18-22-12)11-7-15-5-6-19(11)3/h11,15H,5-8H2,1-4H3
InChIKeyZXRNXTCJCOLILU-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.58
Rot. Bonds4

About 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole

3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 120956118) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID120956118
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1OCc1nc(C2CNCCN2C)no1
InChIInChI=1S/C14H22N6O2/c1-9-13(10(2)20(4)17-9)21-8-12-16-14(18-22-12)11-7-15-5-6-19(11)3/h11,15H,5-8H2,1-4H3
InChIKeyZXRNXTCJCOLILU-UHFFFAOYSA-N
XLogP0.58
TPSA81.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole (CID 120956118) is 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole is Cc1nn(C)c(C)c1OCc1nc(C2CNCCN2C)no1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is ZXRNXTCJCOLILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-9-13(10(2)20(4)17-9)21-8-12-16-14(18-22-12)11-7-15-5-6-19(11)3/h11,15H,5-8H2,1-4H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 306.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 120956118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).