5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole

C20H20FN3O2 — CID 86275998

IUPAC5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(-c2cc(Oc3ccc(F)cc3)c(C3CC3)cn2)no1
InChIInChI=1S/C20H20FN3O2/c1-20(2,3)19-23-18(24-26-19)16-10-17(15(11-22-16)12-4-5-12)25-14-8-6-13(21)7-9-14/h6-12H,4-5H2,1-3H3
InChIKeyJIVTXHUQNIITHJ-UHFFFAOYSA-N
MW353.40 g/mol
LogP5.24
Rot. Bonds4

About 5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole

5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 86275998) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID86275998
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(-c2cc(Oc3ccc(F)cc3)c(C3CC3)cn2)no1
InChIInChI=1S/C20H20FN3O2/c1-20(2,3)19-23-18(24-26-19)16-10-17(15(11-22-16)12-4-5-12)25-14-8-6-13(21)7-9-14/h6-12H,4-5H2,1-3H3
InChIKeyJIVTXHUQNIITHJ-UHFFFAOYSA-N
XLogP5.24
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.40
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole (CID 86275998) is 5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole is CC(C)(C)c1nc(-c2cc(Oc3ccc(F)cc3)c(C3CC3)cn2)no1.
What is the InChIKey of 5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is JIVTXHUQNIITHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-20(2,3)19-23-18(24-26-19)16-10-17(15(11-22-16)12-4-5-12)25-14-8-6-13(21)7-9-14/h6-12H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 353.40 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[5-cyclopropyl-4-(4-fluorophenoxy)-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86275998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).