5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole

C22H17F2N3O — CID 5051419

IUPAC5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2ccc(-c3noc(-c4cccc(F)c4F)n3)cc2)nc1
InChIInChI=1S/C22H17F2N3O/c1-2-4-14-7-12-19(25-13-14)15-8-10-16(11-9-15)21-26-22(28-27-21)17-5-3-6-18(23)20(17)24/h3,5-13H,2,4H2,1H3
InChIKeyJHKPALNOCSQPTF-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.70
Rot. Bonds5

About 5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole

5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole (PubChem CID 5051419) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole
PubChem CID5051419
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2ccc(-c3noc(-c4cccc(F)c4F)n3)cc2)nc1
InChIInChI=1S/C22H17F2N3O/c1-2-4-14-7-12-19(25-13-14)15-8-10-16(11-9-15)21-26-22(28-27-21)17-5-3-6-18(23)20(17)24/h3,5-13H,2,4H2,1H3
InChIKeyJHKPALNOCSQPTF-UHFFFAOYSA-N
XLogP5.70
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole (CID 5051419) is 5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole is CCCc1ccc(-c2ccc(-c3noc(-c4cccc(F)c4F)n3)cc2)nc1.
What is the InChIKey of 5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is JHKPALNOCSQPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O/c1-2-4-14-7-12-19(25-13-14)15-8-10-16(11-9-15)21-26-22(28-27-21)17-5-3-6-18(23)20(17)24/h3,5-13H,2,4H2,1H3.
What are the key properties of 5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole?
5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 377.39 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-3-[4-(5-propyl-2-pyridinyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 5051419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).