3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole

C13H20N4O2 — CID 72922032

IUPAC3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cc(CC(C)C)nn2C)n1
InChIInChI=1S/C13H20N4O2/c1-9(2)7-10-8-11(17(3)15-10)13-14-12(16-19-13)5-6-18-4/h8-9H,5-7H2,1-4H3
InChIKeyXGYRSRBAKNUKHY-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.86
Rot. Bonds6

About 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 72922032) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID72922032
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cc(CC(C)C)nn2C)n1
InChIInChI=1S/C13H20N4O2/c1-9(2)7-10-8-11(17(3)15-10)13-14-12(16-19-13)5-6-18-4/h8-9H,5-7H2,1-4H3
InChIKeyXGYRSRBAKNUKHY-UHFFFAOYSA-N
XLogP1.86
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole (CID 72922032) is 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole is COCCc1noc(-c2cc(CC(C)C)nn2C)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is XGYRSRBAKNUKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)7-10-8-11(17(3)15-10)13-14-12(16-19-13)5-6-18-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 264.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 72922032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).