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

C21H21N5O4 — CID 53065231

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

N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 53065231) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
• PubChem CID: 53065231
• Molecular Formula: C21H21N5O4
• Molecular Weight: 407.43 g/mol
• Exact Mass: 407.16
• IUPAC Name: N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
• SMILES: CCCn1c(=O)c(C)nc2cc(-c3noc(C(C)NC(=O)c4ccco4)n3)ccc21
• InChI: InChI=1S/C21H21N5O4/c1-4-9-26-16-8-7-14(11-15(16)22-13(3)21(26)28)18-24-20(30-25-18)12(2)23-19(27)17-6-5-10-29-17/h5-8,10-12H,4,9H2,1-3H3,(H,23,27)
• InChIKey: WCSSZBUDFLVXEE-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 116.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.43
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (CID 53065231) is N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

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

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

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

The InChIKey is WCSSZBUDFLVXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-4-9-26-16-8-7-14(11-15(16)22-13(3)21(26)28)18-24-20(30-25-18)12(2)23-19(27)17-6-5-10-29-17/h5-8,10-12H,4,9H2,1-3H3,(H,23,27).

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

N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 53065231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).