1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea

C30H34N4O3 — CID 59430547

About 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea

1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea (PubChem CID 59430547) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea
• PubChem CID: 59430547
• Molecular Formula: C30H34N4O3
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.26
• IUPAC Name: 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea
• SMILES: CCOc1ccc2c(-c3nc(C)c(C)o3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C30H34N4O3/c1-4-36-24-15-16-25-26(17-24)34(23-9-6-10-23)28(27(25)29-31-18(2)19(3)37-29)20-11-13-22(14-12-20)33-30(35)32-21-7-5-8-21/h11-17,21,23H,4-10H2,1-3H3,(H2,32,33,35)
• InChIKey: BSONTCPOOPEZAJ-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 81.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea?

The IUPAC name of 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea (CID 59430547) is 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea.

What is the SMILES notation for 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea?

The canonical SMILES for 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea is CCOc1ccc2c(-c3nc(C)c(C)o3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea?

The InChIKey is BSONTCPOOPEZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-4-36-24-15-16-25-26(17-24)34(23-9-6-10-23)28(27(25)29-31-18(2)19(3)37-29)20-11-13-22(14-12-20)33-30(35)32-21-7-5-8-21/h11-17,21,23H,4-10H2,1-3H3,(H2,32,33,35).

What are the key properties of 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea?

1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea has a molecular weight of 498.63 g/mol, XLogP of 7.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea is sourced from PubChem (CID 59430547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).