1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea

C24H27N5O2 — CID 86886216

About 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea

1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 86886216) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
• PubChem CID: 86886216
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
• SMILES: CCc1noc(-c2ccc(CCNC(=O)NCCc3c[nH]c4cc(C)ccc34)cc2)n1
• InChI: InChI=1S/C24H27N5O2/c1-3-22-28-23(31-29-22)18-7-5-17(6-8-18)10-12-25-24(30)26-13-11-19-15-27-21-14-16(2)4-9-20(19)21/h4-9,14-15,27H,3,10-13H2,1-2H3,(H2,25,26,30)
• InChIKey: HMDWPFDGDAVIGL-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 95.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?

The IUPAC name of 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea (CID 86886216) is 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea.

What is the SMILES notation for 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?

The canonical SMILES for 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea is CCc1noc(-c2ccc(CCNC(=O)NCCc3c[nH]c4cc(C)ccc34)cc2)n1.

What is the InChIKey of 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?

The InChIKey is HMDWPFDGDAVIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-3-22-28-23(31-29-22)18-7-5-17(6-8-18)10-12-25-24(30)26-13-11-19-15-27-21-14-16(2)4-9-20(19)21/h4-9,14-15,27H,3,10-13H2,1-2H3,(H2,25,26,30).

What are the key properties of 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?

1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 417.51 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 86886216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).