3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole

C14H20N4O2 — CID 72933378

IUPAC3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1CCc1nc(C2CCOC2)no1
InChIInChI=1S/C14H20N4O2/c1-9-12(10(2)18(3)16-9)4-5-13-15-14(17-20-13)11-6-7-19-8-11/h11H,4-8H2,1-3H3
InChIKeyZAJBUTQLNPSRQM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.71
Rot. Bonds4

About 3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole

3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 72933378) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
PubChem CID72933378
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1CCc1nc(C2CCOC2)no1
InChIInChI=1S/C14H20N4O2/c1-9-12(10(2)18(3)16-9)4-5-13-15-14(17-20-13)11-6-7-19-8-11/h11H,4-8H2,1-3H3
InChIKeyZAJBUTQLNPSRQM-UHFFFAOYSA-N
XLogP1.71
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole (CID 72933378) is 3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole is Cc1nn(C)c(C)c1CCc1nc(C2CCOC2)no1.
What is the InChIKey of 3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is ZAJBUTQLNPSRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-12(10(2)18(3)16-9)4-5-13-15-14(17-20-13)11-6-7-19-8-11/h11H,4-8H2,1-3H3.
What are the key properties of 3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 276.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72933378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).