3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole

C23H19FN2O2 — CID 25256388

IUPAC3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(C)c2)n1
InChIInChI=1S/C23H19FN2O2/c1-14-6-4-5-7-18(14)19-10-8-16(12-15(19)2)23-25-22(26-28-23)20-13-17(24)9-11-21(20)27-3/h4-13H,1-3H3
InChIKeyVXALHYHCRPZXOC-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.84
Rot. Bonds4

About 3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole

3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole (PubChem CID 25256388) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
PubChem CID25256388
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(C)c2)n1
InChIInChI=1S/C23H19FN2O2/c1-14-6-4-5-7-18(14)19-10-8-16(12-15(19)2)23-25-22(26-28-23)20-13-17(24)9-11-21(20)27-3/h4-13H,1-3H3
InChIKeyVXALHYHCRPZXOC-UHFFFAOYSA-N
XLogP5.84
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole (CID 25256388) is 3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole is COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(C)c2)n1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is VXALHYHCRPZXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-14-6-4-5-7-18(14)19-10-8-16(12-15(19)2)23-25-22(26-28-23)20-13-17(24)9-11-21(20)27-3/h4-13H,1-3H3.
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole?
3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 374.42 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25256388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).