N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide

C42H40ClFN6O6 — CID 167591067

About N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide

N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167591067) has the molecular formula C42H40ClFN6O6 and a molecular weight of 779.27 g/mol. Its IUPAC name is N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
• PubChem CID: 167591067
• Molecular Formula: C42H40ClFN6O6
• Molecular Weight: 779.27 g/mol
• Exact Mass: 778.27
• IUPAC Name: N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
• SMILES: CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)nc2)cc1F
• InChI: InChI=1S/C21H20ClN3O3.C21H20FN3O3/c1-4-21(27)25(3)18-8-6-14(9-16(18)22)17-7-5-15(12-23-17)19(26)10-20-24-11-13(2)28-20;1-4-21(27)25(3)18-8-6-14(9-16(18)22)15-5-7-17(23-12-15)19(26)10-20-24-11-13(2)28-20/h2*5-9,11-12H,4,10H2,1-3H3
• InChIKey: ILDHCLLFUKCEPI-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 152.60 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.27
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?

The IUPAC name of N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (CID 167591067) is N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

What is the SMILES notation for N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?

The canonical SMILES for N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)nc2)cc1F.

What is the InChIKey of N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?

The InChIKey is ILDHCLLFUKCEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3.C21H20FN3O3/c1-4-21(27)25(3)18-8-6-14(9-16(18)22)17-7-5-15(12-23-17)19(26)10-20-24-11-13(2)28-20;1-4-21(27)25(3)18-8-6-14(9-16(18)22)15-5-7-17(23-12-15)19(26)10-20-24-11-13(2)28-20/h2*5-9,11-12H,4,10H2,1-3H3.

What are the key properties of N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?

N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 779.27 g/mol, XLogP of 8.48, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167591067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).