N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

C21H19N5O3 — CID 38928933

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 38928933) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
• PubChem CID: 38928933
• Molecular Formula: C21H19N5O3
• Molecular Weight: 389.42 g/mol
• Exact Mass: 389.15
• IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
• SMILES: Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(-c2nnco2)cc1
• InChI: InChI=1S/C21H19N5O3/c1-14-20(15(2)26(25-14)17-6-4-3-5-7-17)23-19(27)12-28-18-10-8-16(9-11-18)21-24-22-13-29-21/h3-11,13H,12H2,1-2H3,(H,23,27)
• InChIKey: IAEMHNMLDGXJKI-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.42
LogP ≤ 5	3.56
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)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?

The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 38928933) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

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

The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(-c2nnco2)cc1.

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

The InChIKey is IAEMHNMLDGXJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-14-20(15(2)26(25-14)17-6-4-3-5-7-17)23-19(27)12-28-18-10-8-16(9-11-18)21-24-22-13-29-21/h3-11,13H,12H2,1-2H3,(H,23,27).

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

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 389.42 g/mol, XLogP of 3.56, 6 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)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 38928933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).