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

C21H22FN3O2 — CID 86275977

IUPAC5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(-c2cc(OCc3ccc(F)cc3)c(C3CC3)cn2)no1
InChIInChI=1S/C21H22FN3O2/c1-21(2,3)20-24-19(25-27-20)17-10-18(16(11-23-17)14-6-7-14)26-12-13-4-8-15(22)9-5-13/h4-5,8-11,14H,6-7,12H2,1-3H3
InChIKeyKSELSOJUYOSGQZ-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.02
Rot. Bonds5

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

5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 86275977) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID86275977
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(-c2cc(OCc3ccc(F)cc3)c(C3CC3)cn2)no1
InChIInChI=1S/C21H22FN3O2/c1-21(2,3)20-24-19(25-27-20)17-10-18(16(11-23-17)14-6-7-14)26-12-13-4-8-15(22)9-5-13/h4-5,8-11,14H,6-7,12H2,1-3H3
InChIKeyKSELSOJUYOSGQZ-UHFFFAOYSA-N
XLogP5.02
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole (CID 86275977) is 5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole is CC(C)(C)c1nc(-c2cc(OCc3ccc(F)cc3)c(C3CC3)cn2)no1.
What is the InChIKey of 5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is KSELSOJUYOSGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-21(2,3)20-24-19(25-27-20)17-10-18(16(11-23-17)14-6-7-14)26-12-13-4-8-15(22)9-5-13/h4-5,8-11,14H,6-7,12H2,1-3H3.
What are the key properties of 5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[5-cyclopropyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 367.42 g/mol, XLogP of 5.02, 5 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-fluorophenyl)methoxy]-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86275977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).