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

C25H25ClN4O2 — CID 16598980

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

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16598980) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 16598980
• Molecular Formula: C25H25ClN4O2
• Molecular Weight: 448.95 g/mol
• Exact Mass: 448.17
• IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1ncc(-c2ccccc2Cl)o1
• InChI: InChI=1S/C25H25ClN4O2/c1-17-21(18(2)30(29-17)16-19-8-4-3-5-9-19)14-27-24(31)12-13-25-28-15-23(32-25)20-10-6-7-11-22(20)26/h3-11,15H,12-14,16H2,1-2H3,(H,27,31)
• InChIKey: UYLHLOSEWHVPDV-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.95
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16598980) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide.

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

The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1ncc(-c2ccccc2Cl)o1.

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

The InChIKey is UYLHLOSEWHVPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-17-21(18(2)30(29-17)16-19-8-4-3-5-9-19)14-27-24(31)12-13-25-28-15-23(32-25)20-10-6-7-11-22(20)26/h3-11,15H,12-14,16H2,1-2H3,(H,27,31).

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

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 448.95 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16598980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).