5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole

C21H16FN3O — CID 70928065

IUPAC5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cnccc1-c1noc(-c2ccc(-c3ccccc3)c(CF)c2)n1
InChIInChI=1S/C21H16FN3O/c1-14-13-23-10-9-18(14)20-24-21(26-25-20)16-7-8-19(17(11-16)12-22)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3
InChIKeyFAVYNPZLDRZWSD-UHFFFAOYSA-N
MW345.38 g/mol
LogP5.24
Rot. Bonds4

About 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole

5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 70928065) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID70928065
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cnccc1-c1noc(-c2ccc(-c3ccccc3)c(CF)c2)n1
InChIInChI=1S/C21H16FN3O/c1-14-13-23-10-9-18(14)20-24-21(26-25-20)16-7-8-19(17(11-16)12-22)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3
InChIKeyFAVYNPZLDRZWSD-UHFFFAOYSA-N
XLogP5.24
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.38
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole (CID 70928065) is 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole is Cc1cnccc1-c1noc(-c2ccc(-c3ccccc3)c(CF)c2)n1.
What is the InChIKey of 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is FAVYNPZLDRZWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-14-13-23-10-9-18(14)20-24-21(26-25-20)16-7-8-19(17(11-16)12-22)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3.
What are the key properties of 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole?
5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 345.38 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 70928065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).