3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

C18H9F4N5O — CID 167518460

IUPAC3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3cc(-c4cncc(F)c4)cc(C(F)F)n3)no2)nc1
InChIInChI=1S/C18H9F4N5O/c19-11-1-2-13(24-8-11)18-26-17(27-28-18)15-5-9(4-14(25-15)16(21)22)10-3-12(20)7-23-6-10/h1-8,16H
InChIKeyXEESGVSPOJQLIQ-UHFFFAOYSA-N
MW387.30 g/mol
LogP4.47
Rot. Bonds4

About 3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 167518460) has the molecular formula C18H9F4N5O and a molecular weight of 387.30 g/mol. Its IUPAC name is 3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID167518460
Molecular FormulaC18H9F4N5O
Molecular Weight387.30 g/mol
Exact Mass387.07
IUPAC Name3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3cc(-c4cncc(F)c4)cc(C(F)F)n3)no2)nc1
InChIInChI=1S/C18H9F4N5O/c19-11-1-2-13(24-8-11)18-26-17(27-28-18)15-5-9(4-14(25-15)16(21)22)10-3-12(20)7-23-6-10/h1-8,16H
InChIKeyXEESGVSPOJQLIQ-UHFFFAOYSA-N
XLogP4.47
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 11242644
3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 167518354
2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79719610
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173
3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 167518349
5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326281
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79735633
5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine
CID 104786443
[6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81091119
2-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 79719316
N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]acetamide
CID 144972443
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104786429

Frequently Asked Questions

What is the IUPAC name of 3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (CID 167518460) is 3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(-c3cc(-c4cncc(F)c4)cc(C(F)F)n3)no2)nc1.
What is the InChIKey of 3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is XEESGVSPOJQLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F4N5O/c19-11-1-2-13(24-8-11)18-26-17(27-28-18)15-5-9(4-14(25-15)16(21)22)10-3-12(20)7-23-6-10/h1-8,16H.
What are the key properties of 3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 387.30 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167518460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).