1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea

C18H20N4O6 — CID 90603284

About 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea

1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 90603284) has the molecular formula C18H20N4O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
• PubChem CID: 90603284
• Molecular Formula: C18H20N4O6
• Molecular Weight: 388.38 g/mol
• Exact Mass: 388.14
• IUPAC Name: 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
• SMILES: COc1cc(NC(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc(OC)c1OC
• InChI: InChI=1S/C18H20N4O6/c1-9-6-12(10(2)27-9)16-21-22-18(28-16)20-17(23)19-11-7-13(24-3)15(26-5)14(8-11)25-4/h6-8H,1-5H3,(H2,19,20,22,23)
• InChIKey: HXPMBNQMZXZBQZ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 120.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.38
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea?

The IUPAC name of 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea (CID 90603284) is 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea.

What is the SMILES notation for 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea?

The canonical SMILES for 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc(OC)c1OC.

What is the InChIKey of 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea?

The InChIKey is HXPMBNQMZXZBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6/c1-9-6-12(10(2)27-9)16-21-22-18(28-16)20-17(23)19-11-7-13(24-3)15(26-5)14(8-11)25-4/h6-8H,1-5H3,(H2,19,20,22,23).

What are the key properties of 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea?

1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 388.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 90603284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).