3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide

C25H24F2N4O2 — CID 55707139

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide (PubChem CID 55707139) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
• PubChem CID: 55707139
• Molecular Formula: C25H24F2N4O2
• Molecular Weight: 450.49 g/mol
• Exact Mass: 450.19
• IUPAC Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
• SMILES: Cc1cc(C)n(-c2ccc(CCNC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)n1
• InChI: InChI=1S/C25H24F2N4O2/c1-16-13-17(2)31(30-16)20-6-3-18(4-7-20)11-12-28-24(32)9-10-25-29-15-23(33-25)21-8-5-19(26)14-22(21)27/h3-8,13-15H,9-12H2,1-2H3,(H,28,32)
• InChIKey: OGEHRJYNXPEIKL-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.49
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide?

The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide (CID 55707139) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide.

What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide?

The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide is Cc1cc(C)n(-c2ccc(CCNC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)n1.

What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide?

The InChIKey is OGEHRJYNXPEIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c1-16-13-17(2)31(30-16)20-6-3-18(4-7-20)11-12-28-24(32)9-10-25-29-15-23(33-25)21-8-5-19(26)14-22(21)27/h3-8,13-15H,9-12H2,1-2H3,(H,28,32).

What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide?

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide has a molecular weight of 450.49 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 55707139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).