2-fluoro-4-[5-[4-(2-methylphenyl)-3-(2-methylpropoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzamide

C27H26FN3O3 — CID 143783912

About 2-fluoro-4-[5-[4-(2-methylphenyl)-3-(2-methylpropoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzamide

2-fluoro-4-[5-[4-(2-methylphenyl)-3-(2-methylpropoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 143783912) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is 2-fluoro-4-[5-[4-(2-methylphenyl)-3-(2-methylpropoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-4-[5-[4-(2-methylphenyl)-3-(2-methylpropoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzamide
• PubChem CID: 143783912
• Molecular Formula: C27H26FN3O3
• Molecular Weight: 459.52 g/mol
• Exact Mass: 459.20
• IUPAC Name: 2-fluoro-4-[5-[4-(2-methylphenyl)-3-(2-methylpropoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzamide
• SMILES: Cc1ccccc1-c1ccc(-c2nc(-c3ccc(C(N)=O)c(F)c3)no2)cc1COCC(C)C
• InChI: InChI=1S/C27H26FN3O3/c1-16(2)14-33-15-20-12-19(9-10-22(20)21-7-5-4-6-17(21)3)27-30-26(31-34-27)18-8-11-23(25(29)32)24(28)13-18/h4-13,16H,14-15H2,1-3H3,(H2,29,32)
• InChIKey: ROZKZYWOJBOHRQ-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 91.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.52
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-4-[5-[4-(2-methylphenyl)-3-(2-methylpropoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzamide (CID 143783912) is 2-fluoro-4-[5-[4-(2-methylphenyl)-3-(2-methylpropoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzamide.

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

The canonical SMILES for 2-fluoro-4-[5-[4-(2-methylphenyl)-3-(2-methylpropoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzamide is Cc1ccccc1-c1ccc(-c2nc(-c3ccc(C(N)=O)c(F)c3)no2)cc1COCC(C)C.

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

The InChIKey is ROZKZYWOJBOHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c1-16(2)14-33-15-20-12-19(9-10-22(20)21-7-5-4-6-17(21)3)27-30-26(31-34-27)18-8-11-23(25(29)32)24(28)13-18/h4-13,16H,14-15H2,1-3H3,(H2,29,32).

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

2-fluoro-4-[5-[4-(2-methylphenyl)-3-(2-methylpropoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 459.52 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-[5-[4-(2-methylphenyl)-3-(2-methylpropoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 143783912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).