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

C23H26N2O2 — CID 108784923

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

N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 108784923) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 108784923
• Molecular Formula: C23H26N2O2
• Molecular Weight: 362.47 g/mol
• Exact Mass: 362.20
• IUPAC Name: N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: Cc1ccc(NC(=O)CCc2ncc(-c3ccc(C(C)C)cc3)o2)cc1C
• InChI: InChI=1S/C23H26N2O2/c1-15(2)18-6-8-19(9-7-18)21-14-24-23(27-21)12-11-22(26)25-20-10-5-16(3)17(4)13-20/h5-10,13-15H,11-12H2,1-4H3,(H,25,26)
• InChIKey: FEERMJGRUXCWBI-UHFFFAOYSA-N
• XLogP: 5.65
• 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	362.47
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (CID 108784923) is N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

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

The canonical SMILES for N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(NC(=O)CCc2ncc(-c3ccc(C(C)C)cc3)o2)cc1C.

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

The InChIKey is FEERMJGRUXCWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15(2)18-6-8-19(9-7-18)21-14-24-23(27-21)12-11-22(26)25-20-10-5-16(3)17(4)13-20/h5-10,13-15H,11-12H2,1-4H3,(H,25,26).

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

N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 362.47 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 108784923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).