N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide

C18H17BrCl2N4O2 — CID 19330175

About N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 19330175) has the molecular formula C18H17BrCl2N4O2 and a molecular weight of 472.17 g/mol. Its IUPAC name is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 19330175
• Molecular Formula: C18H17BrCl2N4O2
• Molecular Weight: 472.17 g/mol
• Exact Mass: 469.99
• IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
• SMILES: Cc1nn(CCCNC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)c(C)c1Br
• InChI: InChI=1S/C18H17BrCl2N4O2/c1-10-17(19)11(2)25(23-10)7-3-6-22-18(26)15-9-16(27-24-15)13-5-4-12(20)8-14(13)21/h4-5,8-9H,3,6-7H2,1-2H3,(H,22,26)
• InChIKey: FQUQPPVAIJQNSB-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.17
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide (CID 19330175) is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide is Cc1nn(CCCNC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)c(C)c1Br.

What is the InChIKey of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?

The InChIKey is FQUQPPVAIJQNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrCl2N4O2/c1-10-17(19)11(2)25(23-10)7-3-6-22-18(26)15-9-16(27-24-15)13-5-4-12(20)8-14(13)21/h4-5,8-9H,3,6-7H2,1-2H3,(H,22,26).

What are the key properties of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 472.17 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19330175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).