3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole

C12H16N4O2 — CID 72884208

IUPAC3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole
SMILESc1cnn(CCCc2nc(C3CCOC3)no2)c1
InChIInChI=1S/C12H16N4O2/c1(6-16-7-2-5-13-16)3-11-14-12(15-18-11)10-4-8-17-9-10/h2,5,7,10H,1,3-4,6,8-9H2
InChIKeyNEIGABWYNVYWRS-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.40
Rot. Bonds5

About 3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole

3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole (PubChem CID 72884208) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole
PubChem CID72884208
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole
SMILESc1cnn(CCCc2nc(C3CCOC3)no2)c1
InChIInChI=1S/C12H16N4O2/c1(6-16-7-2-5-13-16)3-11-14-12(15-18-11)10-4-8-17-9-10/h2,5,7,10H,1,3-4,6,8-9H2
InChIKeyNEIGABWYNVYWRS-UHFFFAOYSA-N
XLogP1.40
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.40
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-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole (CID 72884208) is 3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole is c1cnn(CCCc2nc(C3CCOC3)no2)c1.
What is the InChIKey of 3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is NEIGABWYNVYWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1(6-16-7-2-5-13-16)3-11-14-12(15-18-11)10-4-8-17-9-10/h2,5,7,10H,1,3-4,6,8-9H2.
What are the key properties of 3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole has a molecular weight of 248.29 g/mol, XLogP of 1.40, 5 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-(3-pyrazol-1-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 72884208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).