2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol

C25H23FN2O4 — CID 58066373

About 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol

2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol (PubChem CID 58066373) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol
• PubChem CID: 58066373
• Molecular Formula: C25H23FN2O4
• Molecular Weight: 434.47 g/mol
• Exact Mass: 434.16
• IUPAC Name: 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol
• SMILES: COCc1cc(-c2nc(-c3ccc(OCCO)c(F)c3)no2)ccc1-c1ccccc1C
• InChI: InChI=1S/C25H23FN2O4/c1-16-5-3-4-6-20(16)21-9-7-18(13-19(21)15-30-2)25-27-24(28-32-25)17-8-10-23(22(26)14-17)31-12-11-29/h3-10,13-14,29H,11-12,15H2,1-2H3
• InChIKey: PMNXXOKMWLDHGF-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 77.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.47
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol?

The IUPAC name of 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol (CID 58066373) is 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol.

What is the SMILES notation for 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol?

The canonical SMILES for 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol is COCc1cc(-c2nc(-c3ccc(OCCO)c(F)c3)no2)ccc1-c1ccccc1C.

What is the InChIKey of 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol?

The InChIKey is PMNXXOKMWLDHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-16-5-3-4-6-20(16)21-9-7-18(13-19(21)15-30-2)25-27-24(28-32-25)17-8-10-23(22(26)14-17)31-12-11-29/h3-10,13-14,29H,11-12,15H2,1-2H3.

What are the key properties of 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol?

2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol has a molecular weight of 434.47 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol is sourced from PubChem (CID 58066373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).