1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea

C17H20N6O3 — CID 72875860

About 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea

1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 72875860) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
• PubChem CID: 72875860
• Molecular Formula: C17H20N6O3
• Molecular Weight: 356.39 g/mol
• Exact Mass: 356.16
• IUPAC Name: 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
• SMILES: CCc1nc(CCNC(=O)Nc2cc(-c3nnc(C)o3)ccc2C)no1
• InChI: InChI=1S/C17H20N6O3/c1-4-15-20-14(23-26-15)7-8-18-17(24)19-13-9-12(6-5-10(13)2)16-22-21-11(3)25-16/h5-6,9H,4,7-8H2,1-3H3,(H2,18,19,24)
• InChIKey: YMTULLVEZZZFDY-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 118.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.39
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea (CID 72875860) is 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

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

The canonical SMILES for 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea is CCc1nc(CCNC(=O)Nc2cc(-c3nnc(C)o3)ccc2C)no1.

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

The InChIKey is YMTULLVEZZZFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-4-15-20-14(23-26-15)7-8-18-17(24)19-13-9-12(6-5-10(13)2)16-22-21-11(3)25-16/h5-6,9H,4,7-8H2,1-3H3,(H2,18,19,24).

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

1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 356.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 72875860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).