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

C20H17Cl3N2O2 — CID 42931318

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

N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 42931318) has the molecular formula C20H17Cl3N2O2 and a molecular weight of 423.73 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 42931318
• Molecular Formula: C20H17Cl3N2O2
• Molecular Weight: 423.73 g/mol
• Exact Mass: 422.04
• IUPAC Name: N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: CC(NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1
• InChI: InChI=1S/C20H17Cl3N2O2/c1-12(13-2-4-14(21)5-3-13)25-19(26)8-9-20-24-11-18(27-20)16-7-6-15(22)10-17(16)23/h2-7,10-12H,8-9H2,1H3,(H,25,26)
• InChIKey: SSPHLLAMULGVOM-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.73
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 42931318) is N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.

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

The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is CC(NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1.

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

The InChIKey is SSPHLLAMULGVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl3N2O2/c1-12(13-2-4-14(21)5-3-13)25-19(26)8-9-20-24-11-18(27-20)16-7-6-15(22)10-17(16)23/h2-7,10-12H,8-9H2,1H3,(H,25,26).

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

N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 423.73 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 42931318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).