N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C23H20Cl2N4O3 — CID 55434125

About N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 55434125) has the molecular formula C23H20Cl2N4O3 and a molecular weight of 471.34 g/mol. Its IUPAC name is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
• PubChem CID: 55434125
• Molecular Formula: C23H20Cl2N4O3
• Molecular Weight: 471.34 g/mol
• Exact Mass: 470.09
• IUPAC Name: N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
• SMILES: Cc1noc(C)c1COc1cccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c1
• InChI: InChI=1S/C23H20Cl2N4O3/c1-14-19(15(2)32-28-14)13-31-18-7-3-5-16(11-18)23(30)27-21-9-10-26-29(21)12-17-6-4-8-20(24)22(17)25/h3-11H,12-13H2,1-2H3,(H,27,30)
• InChIKey: HPIVGBIOFWZYOB-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.34
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?

The IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 55434125) is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?

The canonical SMILES for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1cccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c1.

What is the InChIKey of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?

The InChIKey is HPIVGBIOFWZYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O3/c1-14-19(15(2)32-28-14)13-31-18-7-3-5-16(11-18)23(30)27-21-9-10-26-29(21)12-17-6-4-8-20(24)22(17)25/h3-11H,12-13H2,1-2H3,(H,27,30).

What are the key properties of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 471.34 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 55434125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).