3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide

C18H20N4O4 — CID 121084092

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide (PubChem CID 121084092) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
• PubChem CID: 121084092
• Molecular Formula: C18H20N4O4
• Molecular Weight: 356.38 g/mol
• Exact Mass: 356.15
• IUPAC Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
• SMILES: Cc1noc(C)c1CCC(=O)NCCn1nc(-c2ccco2)ccc1=O
• InChI: InChI=1S/C18H20N4O4/c1-12-14(13(2)26-21-12)5-7-17(23)19-9-10-22-18(24)8-6-15(20-22)16-4-3-11-25-16/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,19,23)
• InChIKey: AEWJRFVMITVMPU-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 103.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.38
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide?

The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide (CID 121084092) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide.

What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide?

The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide is Cc1noc(C)c1CCC(=O)NCCn1nc(-c2ccco2)ccc1=O.

What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide?

The InChIKey is AEWJRFVMITVMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-14(13(2)26-21-12)5-7-17(23)19-9-10-22-18(24)8-6-15(20-22)16-4-3-11-25-16/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,19,23).

What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide?

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide has a molecular weight of 356.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 121084092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).