N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide

C23H25N5O4 — CID 53065232

About N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide

N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide (PubChem CID 53065232) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
• PubChem CID: 53065232
• Molecular Formula: C23H25N5O4
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
• SMILES: CCCn1c(=O)c(C)nc2cc(-c3noc(C(NC(=O)c4ccco4)C(C)C)n3)ccc21
• InChI: InChI=1S/C23H25N5O4/c1-5-10-28-17-9-8-15(12-16(17)24-14(4)23(28)30)20-26-22(32-27-20)19(13(2)3)25-21(29)18-7-6-11-31-18/h6-9,11-13,19H,5,10H2,1-4H3,(H,25,29)
• InChIKey: FSPWTIAPFIQCFZ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 116.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

The IUPAC name of N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide (CID 53065232) is N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

The canonical SMILES for N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide is CCCn1c(=O)c(C)nc2cc(-c3noc(C(NC(=O)c4ccco4)C(C)C)n3)ccc21.

What is the InChIKey of N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

The InChIKey is FSPWTIAPFIQCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-5-10-28-17-9-8-15(12-16(17)24-14(4)23(28)30)20-26-22(32-27-20)19(13(2)3)25-21(29)18-7-6-11-31-18/h6-9,11-13,19H,5,10H2,1-4H3,(H,25,29).

What are the key properties of N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide is sourced from PubChem (CID 53065232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).