5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine

C44H38F6N10O7 — CID 161146836

About 5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine

5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine (PubChem CID 161146836) has the molecular formula C44H38F6N10O7 and a molecular weight of 932.84 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

• Compound Name: 5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine
• PubChem CID: 161146836
• Molecular Formula: C44H38F6N10O7
• Molecular Weight: 932.84 g/mol
• Exact Mass: 932.28
• IUPAC Name: 5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine
• SMILES: CC(C)(CN)c1coc(-c2ccc(F)cc2)n1.CC(C)(CNC(=O)c1cncc(-c2noc(C(F)F)n2)c1)c1coc(-c2ccc(F)cc2)n1.O=C(O)c1cncc(-c2noc(C(F)F)n2)c1
• InChI: InChI=1S/C22H18F3N5O3.C13H15FN2O.C9H5F2N3O3/c1-22(2,16-10-32-20(28-16)12-3-5-15(23)6-4-12)11-27-19(31)14-7-13(8-26-9-14)18-29-21(17(24)25)33-30-18;1-13(2,8-15)11-7-17-12(16-11)9-3-5-10(14)6-4-9;10-6(11)8-13-7(14-17-8)4-1-5(9(15)16)3-12-2-4/h3-10,17H,11H2,1-2H3,(H,27,31);3-7H,8,15H2,1-2H3;1-3,6H,(H,15,16)
• InChIKey: UODYKKDJVPGEGI-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 248.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	932.84
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine?

The IUPAC name of 5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine (CID 161146836) is 5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine.

What is the SMILES notation for 5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine?

The canonical SMILES for 5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine is CC(C)(CN)c1coc(-c2ccc(F)cc2)n1.CC(C)(CNC(=O)c1cncc(-c2noc(C(F)F)n2)c1)c1coc(-c2ccc(F)cc2)n1.O=C(O)c1cncc(-c2noc(C(F)F)n2)c1.

What is the InChIKey of 5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine?

The InChIKey is UODYKKDJVPGEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O3.C13H15FN2O.C9H5F2N3O3/c1-22(2,16-10-32-20(28-16)12-3-5-15(23)6-4-12)11-27-19(31)14-7-13(8-26-9-14)18-29-21(17(24)25)33-30-18;1-13(2,8-15)11-7-17-12(16-11)9-3-5-10(14)6-4-9;10-6(11)8-13-7(14-17-8)4-1-5(9(15)16)3-12-2-4/h3-10,17H,11H2,1-2H3,(H,27,31);3-7H,8,15H2,1-2H3;1-3,6H,(H,15,16).

What are the key properties of 5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine?

5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 932.84 g/mol, XLogP of 9.06, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 161146836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).