3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide

C22H20Cl2F2N2O4 — CID 29473371

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide (PubChem CID 29473371) has the molecular formula C22H20Cl2F2N2O4 and a molecular weight of 485.31 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide
• PubChem CID: 29473371
• Molecular Formula: C22H20Cl2F2N2O4
• Molecular Weight: 485.31 g/mol
• Exact Mass: 484.08
• IUPAC Name: 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide
• SMILES: COc1cc(CCNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)ccc1OC(F)F
• InChI: InChI=1S/C22H20Cl2F2N2O4/c1-30-18-10-13(2-5-17(18)32-22(25)26)8-9-27-20(29)6-7-21-28-12-19(31-21)15-4-3-14(23)11-16(15)24/h2-5,10-12,22H,6-9H2,1H3,(H,27,29)
• InChIKey: BRXUNJSGZYGTJG-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.31
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide?

The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide (CID 29473371) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide.

What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide?

The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide is COc1cc(CCNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)ccc1OC(F)F.

What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide?

The InChIKey is BRXUNJSGZYGTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2F2N2O4/c1-30-18-10-13(2-5-17(18)32-22(25)26)8-9-27-20(29)6-7-21-28-12-19(31-21)15-4-3-14(23)11-16(15)24/h2-5,10-12,22H,6-9H2,1H3,(H,27,29).

What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide?

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide has a molecular weight of 485.31 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide is sourced from PubChem (CID 29473371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).