1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea

C127H138F3N15O12S2 — CID 158035487

About 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea

1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea (PubChem CID 158035487) has the molecular formula C127H138F3N15O12S2 and a molecular weight of 2187.72 g/mol. Its IUPAC name is 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea
• PubChem CID: 158035487
• Molecular Formula: C127H138F3N15O12S2
• Molecular Weight: 2187.72 g/mol
• Exact Mass: 2186.00
• IUPAC Name: 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea
• SMILES: CCOc1ccc2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.Cc1nc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)co1.Cc1nc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)cs1.O=C(Nc1ccc(-c2c(-c3cscn3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
• InChI: InChI=1S/C32H32F3N3O2.C32H36N4O4.C32H36N4O3S.C31H34N4O3S/c1-2-40-26-17-18-27-28(19-26)38(25-7-4-8-25)30(29(27)20-9-13-22(14-10-20)32(33,34)35)21-11-15-24(16-12-21)37-31(39)36-23-5-3-6-23;1-20-33-28(19-39-20)30-27-13-12-26(40-25-14-16-38-17-15-25)18-29(27)36(24-6-3-7-24)31(30)21-8-10-23(11-9-21)35-32(37)34-22-4-2-5-22;1-20-33-28(19-40-20)30-27-13-12-26(39-25-14-16-38-17-15-25)18-29(27)36(24-6-3-7-24)31(30)21-8-10-23(11-9-21)35-32(37)34-22-4-2-5-22;36-31(33-21-3-1-4-21)34-22-9-7-20(8-10-22)30-29(27-18-39-19-32-27)26-12-11-25(38-24-13-15-37-16-14-24)17-28(26)35(30)23-5-2-6-23/h9-19,23,25H,2-8H2,1H3,(H2,36,37,39);2*8-13,18-19,22,24-25H,2-7,14-17H2,1H3,(H2,34,35,37);7-12,17-19,21,23-24H,1-6,13-16H2,(H2,33,34,36)
• InChIKey: FHRSKZYSMYMLGA-UHFFFAOYSA-N
• XLogP: 31.11
• TPSA: 300.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2187.72
LogP ≤ 5	31.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea?

The IUPAC name of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea (CID 158035487) is 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea.

What is the SMILES notation for 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea?

The canonical SMILES for 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea is CCOc1ccc2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.Cc1nc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)co1.Cc1nc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)cs1.O=C(Nc1ccc(-c2c(-c3cscn3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.

What is the InChIKey of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea?

The InChIKey is FHRSKZYSMYMLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N3O2.C32H36N4O4.C32H36N4O3S.C31H34N4O3S/c1-2-40-26-17-18-27-28(19-26)38(25-7-4-8-25)30(29(27)20-9-13-22(14-10-20)32(33,34)35)21-11-15-24(16-12-21)37-31(39)36-23-5-3-6-23;1-20-33-28(19-39-20)30-27-13-12-26(40-25-14-16-38-17-15-25)18-29(27)36(24-6-3-7-24)31(30)21-8-10-23(11-9-21)35-32(37)34-22-4-2-5-22;1-20-33-28(19-40-20)30-27-13-12-26(39-25-14-16-38-17-15-25)18-29(27)36(24-6-3-7-24)31(30)21-8-10-23(11-9-21)35-32(37)34-22-4-2-5-22;36-31(33-21-3-1-4-21)34-22-9-7-20(8-10-22)30-29(27-18-39-19-32-27)26-12-11-25(38-24-13-15-37-16-14-24)17-28(26)35(30)23-5-2-6-23/h9-19,23,25H,2-8H2,1H3,(H2,36,37,39);2*8-13,18-19,22,24-25H,2-7,14-17H2,1H3,(H2,34,35,37);7-12,17-19,21,23-24H,1-6,13-16H2,(H2,33,34,36).

What are the key properties of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea?

1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea has a molecular weight of 2187.72 g/mol, XLogP of 31.11, 28 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]urea is sourced from PubChem (CID 158035487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).