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

C25H25ClN4O4 — CID 60585877

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide (PubChem CID 60585877) has the molecular formula C25H25ClN4O4 and a molecular weight of 480.95 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide
• PubChem CID: 60585877
• Molecular Formula: C25H25ClN4O4
• Molecular Weight: 480.95 g/mol
• Exact Mass: 480.16
• IUPAC Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide
• SMILES: COc1ccc(Cn2ncc(C)c2NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC
• InChI: InChI=1S/C25H25ClN4O4/c1-16-13-28-30(15-17-4-9-20(32-2)21(12-17)33-3)25(16)29-23(31)10-11-24-27-14-22(34-24)18-5-7-19(26)8-6-18/h4-9,12-14H,10-11,15H2,1-3H3,(H,29,31)
• InChIKey: CHIWYCPOTXZJNF-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.95
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide (CID 60585877) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide.

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

The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide is COc1ccc(Cn2ncc(C)c2NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC.

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

The InChIKey is CHIWYCPOTXZJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O4/c1-16-13-28-30(15-17-4-9-20(32-2)21(12-17)33-3)25(16)29-23(31)10-11-24-27-14-22(34-24)18-5-7-19(26)8-6-18/h4-9,12-14H,10-11,15H2,1-3H3,(H,29,31).

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide has a molecular weight of 480.95 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide is sourced from PubChem (CID 60585877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).