5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole

C17H13F4N3O2 — CID 133371723

IUPAC5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole
SMILESCCCCc1nc(-c2cccc(Oc3c(F)c(F)nc(F)c3F)c2)no1
InChIInChI=1S/C17H13F4N3O2/c1-2-3-7-11-22-17(24-26-11)9-5-4-6-10(8-9)25-14-12(18)15(20)23-16(21)13(14)19/h4-6,8H,2-3,7H2,1H3
InChIKeySVZKFIBTLYDSST-UHFFFAOYSA-N
MW367.30 g/mol
LogP4.82
Rot. Bonds6

About 5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole

5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole (PubChem CID 133371723) has the molecular formula C17H13F4N3O2 and a molecular weight of 367.30 g/mol. Its IUPAC name is 5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole
PubChem CID133371723
Molecular FormulaC17H13F4N3O2
Molecular Weight367.30 g/mol
Exact Mass367.09
IUPAC Name5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole
SMILESCCCCc1nc(-c2cccc(Oc3c(F)c(F)nc(F)c3F)c2)no1
InChIInChI=1S/C17H13F4N3O2/c1-2-3-7-11-22-17(24-26-11)9-5-4-6-10(8-9)25-14-12(18)15(20)23-16(21)13(14)19/h4-6,8H,2-3,7H2,1H3
InChIKeySVZKFIBTLYDSST-UHFFFAOYSA-N
XLogP4.82
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine
CID 47983084
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008142
3-[3,5-bis[5-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 59491909
3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane
CID 158479499
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346128
3-(3,4-dimethoxyphenyl)-5-heptyl-1,2,4-oxadiazole
CID 19658114
3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 78953778
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 60835917
3-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 97057682

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole (CID 133371723) is 5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole is CCCCc1nc(-c2cccc(Oc3c(F)c(F)nc(F)c3F)c2)no1.
What is the InChIKey of 5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is SVZKFIBTLYDSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O2/c1-2-3-7-11-22-17(24-26-11)9-5-4-6-10(8-9)25-14-12(18)15(20)23-16(21)13(14)19/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole?
5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 367.30 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 133371723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).