N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

C23H23N5O3 — CID 134012276

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 134012276) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
• PubChem CID: 134012276
• Molecular Formula: C23H23N5O3
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.18
• IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
• SMILES: Cc1nc(COc2ccccc2C(=O)NCc2c(C)nn(-c3ccccc3)c2C)no1
• InChI: InChI=1S/C23H23N5O3/c1-15-20(16(2)28(26-15)18-9-5-4-6-10-18)13-24-23(29)19-11-7-8-12-21(19)30-14-22-25-17(3)31-27-22/h4-12H,13-14H2,1-3H3,(H,24,29)
• InChIKey: GZHKEUQQSHPUBM-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 134012276) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

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

The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccccc2C(=O)NCc2c(C)nn(-c3ccccc3)c2C)no1.

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

The InChIKey is GZHKEUQQSHPUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15-20(16(2)28(26-15)18-9-5-4-6-10-18)13-24-23(29)19-11-7-8-12-21(19)30-14-22-25-17(3)31-27-22/h4-12H,13-14H2,1-3H3,(H,24,29).

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

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 134012276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).