N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C20H20N4O4 — CID 122265592

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 122265592) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• PubChem CID: 122265592
• Molecular Formula: C20H20N4O4
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.15
• IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• SMILES: Cc1cc(C)n(C(CNC(=O)Cn2c(=O)oc3ccccc32)c2ccco2)n1
• InChI: InChI=1S/C20H20N4O4/c1-13-10-14(2)24(22-13)16(17-8-5-9-27-17)11-21-19(25)12-23-15-6-3-4-7-18(15)28-20(23)26/h3-10,16H,11-12H2,1-2H3,(H,21,25)
• InChIKey: OZRKOZAAURZGHX-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 95.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 122265592) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1cc(C)n(C(CNC(=O)Cn2c(=O)oc3ccccc32)c2ccco2)n1.

What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The InChIKey is OZRKOZAAURZGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13-10-14(2)24(22-13)16(17-8-5-9-27-17)11-21-19(25)12-23-15-6-3-4-7-18(15)28-20(23)26/h3-10,16H,11-12H2,1-2H3,(H,21,25).

What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 380.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 122265592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).