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

C23H25ClN2O4 — CID 46446935

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide (PubChem CID 46446935) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide
• PubChem CID: 46446935
• Molecular Formula: C23H25ClN2O4
• Molecular Weight: 428.92 g/mol
• Exact Mass: 428.15
• IUPAC Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide
• SMILES: CCCOc1ccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC
• InChI: InChI=1S/C23H25ClN2O4/c1-3-12-29-19-9-4-16(13-20(19)28-2)14-25-22(27)10-11-23-26-15-21(30-23)17-5-7-18(24)8-6-17/h4-9,13,15H,3,10-12,14H2,1-2H3,(H,25,27)
• InChIKey: DFQSWWFMFFZDGN-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.92
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide (CID 46446935) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide.

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

The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide is CCCOc1ccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC.

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

The InChIKey is DFQSWWFMFFZDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-3-12-29-19-9-4-16(13-20(19)28-2)14-25-22(27)10-11-23-26-15-21(30-23)17-5-7-18(24)8-6-17/h4-9,13,15H,3,10-12,14H2,1-2H3,(H,25,27).

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide has a molecular weight of 428.92 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide is sourced from PubChem (CID 46446935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).