2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C18H11F2N5O — CID 167518399

IUPAC2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1nc(-c2nnc(-c3cccnc3)o2)cc(-c2cncc(F)c2)c1F
InChIInChI=1S/C18H11F2N5O/c1-10-16(20)14(12-5-13(19)9-22-8-12)6-15(23-10)18-25-24-17(26-18)11-3-2-4-21-7-11/h2-9H,1H3
InChIKeySFPAOVQUOWAOCY-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.84
Rot. Bonds3

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

2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 167518399) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID167518399
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC Name2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1nc(-c2nnc(-c3cccnc3)o2)cc(-c2cncc(F)c2)c1F
InChIInChI=1S/C18H11F2N5O/c1-10-16(20)14(12-5-13(19)9-22-8-12)6-15(23-10)18-25-24-17(26-18)11-3-2-4-21-7-11/h2-9H,1H3
InChIKeySFPAOVQUOWAOCY-UHFFFAOYSA-N
XLogP3.84
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 167518399) is 2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole is Cc1nc(-c2nnc(-c3cccnc3)o2)cc(-c2cncc(F)c2)c1F.
What is the InChIKey of 2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is SFPAOVQUOWAOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c1-10-16(20)14(12-5-13(19)9-22-8-12)6-15(23-10)18-25-24-17(26-18)11-3-2-4-21-7-11/h2-9H,1H3.
What are the key properties of 2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 351.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 167518399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).