N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

C22H23ClN2O2 — CID 108784775

About N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 108784775) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 108784775
• Molecular Formula: C22H23ClN2O2
• Molecular Weight: 382.89 g/mol
• Exact Mass: 382.14
• IUPAC Name: N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: CC(C)c1ccc(-c2cnc(CCC(=O)NCc3ccc(Cl)cc3)o2)cc1
• InChI: InChI=1S/C22H23ClN2O2/c1-15(2)17-5-7-18(8-6-17)20-14-25-22(27-20)12-11-21(26)24-13-16-3-9-19(23)10-4-16/h3-10,14-15H,11-13H2,1-2H3,(H,24,26)
• InChIKey: DZYAOLHHQBXTRE-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.89
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (CID 108784775) is N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

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

The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is CC(C)c1ccc(-c2cnc(CCC(=O)NCc3ccc(Cl)cc3)o2)cc1.

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

The InChIKey is DZYAOLHHQBXTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-15(2)17-5-7-18(8-6-17)20-14-25-22(27-20)12-11-21(26)24-13-16-3-9-19(23)10-4-16/h3-10,14-15H,11-13H2,1-2H3,(H,24,26).

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

N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 382.89 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 108784775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).