1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea

C254H282F6N34O28S — CID 160980286

IUPAC1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea
SMILESCCOc1ccc2c(-c3nc(C(F)(F)F)co3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.Cc1cn(C)nc1-c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.Cc1coc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.Cc1csc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.Cc1nc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)oc1C.Cn1ccc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.O=C(Nc1ccc(-c2c(-c3cnco3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/C33H39N5O3.C33H38N4O4.C32H33F3N4O4.C32H37N5O3.C32H36N4O4.C32H36N4O3S.C31H34N4O4.C29H29F3N4O3/c1-21-20-37(2)36-31(21)30-28-14-13-27(41-26-15-17-40-18-16-26)19-29(28)38(25-7-4-8-25)32(30)22-9-11-24(12-10-22)35-33(39)34-23-5-3-6-23;1-20-21(2)40-32(34-20)30-28-14-13-27(41-26-15-17-39-18-16-26)19-29(28)37(25-7-4-8-25)31(30)22-9-11-24(12-10-22)36-33(38)35-23-5-3-6-23;33-32(34,35)27-18-42-30(38-27)28-25-12-11-24(43-23-13-15-41-16-14-23)17-26(25)39(22-5-2-6-22)29(28)19-7-9-21(10-8-19)37-31(40)36-20-3-1-4-20;1-36-17-14-28(35-36)30-27-13-12-26(40-25-15-18-39-19-16-25)20-29(27)37(24-6-3-7-24)31(30)21-8-10-23(11-9-21)34-32(38)33-22-4-2-5-22;1-20-19-39-31(33-20)29-27-13-12-26(40-25-14-16-38-17-15-25)18-28(27)36(24-6-3-7-24)30(29)21-8-10-23(11-9-21)35-32(37)34-22-4-2-5-22;1-20-19-40-31(33-20)29-27-13-12-26(39-25-14-16-38-17-15-25)18-28(27)36(24-6-3-7-24)30(29)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(28-18-32-19-38-28)26-12-11-25(39-24-13-15-37-16-14-24)17-27(26)35(30)23-5-2-6-23;1-2-38-21-13-14-22-23(15-21)36(20-7-4-8-20)26(25(22)27-35-24(16-39-27)29(30,31)32)17-9-11-19(12-10-17)34-28(37)33-18-5-3-6-18/h9-14,19-20,23,25-26H,3-8,15-18H2,1-2H3,(H2,34,35,39);9-14,19,23,25-26H,3-8,15-18H2,1-2H3,(H2,35,36,38);7-12,17-18,20,22-23H,1-6,13-16H2,(H2,36,37,40);8-14,17,20,22,24-25H,2-7,15-16,18-19H2,1H3,(H2,33,34,38);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);9-16,18,20H,2-8H2,1H3,(H2,33,34,37)
InChIKeySZKPNBJFOCOTJD-UHFFFAOYSA-N
MW4405.31 g/mol
LogP58.74
Rot. Bonds56

About 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea

1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea (PubChem CID 160980286) has the molecular formula C254H282F6N34O28S and a molecular weight of 4405.31 g/mol. Its IUPAC name is 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea
PubChem CID160980286
Molecular FormulaC254H282F6N34O28S
Molecular Weight4405.31 g/mol
Exact Mass4402.13
IUPAC Name1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea
SMILESCCOc1ccc2c(-c3nc(C(F)(F)F)co3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.Cc1cn(C)nc1-c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.Cc1coc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.Cc1csc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.Cc1nc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)oc1C.Cn1ccc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.O=C(Nc1ccc(-c2c(-c3cnco3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/C33H39N5O3.C33H38N4O4.C32H33F3N4O4.C32H37N5O3.C32H36N4O4.C32H36N4O3S.C31H34N4O4.C29H29F3N4O3/c1-21-20-37(2)36-31(21)30-28-14-13-27(41-26-15-17-40-18-16-26)19-29(28)38(25-7-4-8-25)32(30)22-9-11-24(12-10-22)35-33(39)34-23-5-3-6-23;1-20-21(2)40-32(34-20)30-28-14-13-27(41-26-15-17-39-18-16-26)19-29(28)37(25-7-4-8-25)31(30)22-9-11-24(12-10-22)36-33(38)35-23-5-3-6-23;33-32(34,35)27-18-42-30(38-27)28-25-12-11-24(43-23-13-15-41-16-14-23)17-26(25)39(22-5-2-6-22)29(28)19-7-9-21(10-8-19)37-31(40)36-20-3-1-4-20;1-36-17-14-28(35-36)30-27-13-12-26(40-25-15-18-39-19-16-25)20-29(27)37(24-6-3-7-24)31(30)21-8-10-23(11-9-21)34-32(38)33-22-4-2-5-22;1-20-19-39-31(33-20)29-27-13-12-26(40-25-14-16-38-17-15-25)18-28(27)36(24-6-3-7-24)30(29)21-8-10-23(11-9-21)35-32(37)34-22-4-2-5-22;1-20-19-40-31(33-20)29-27-13-12-26(39-25-14-16-38-17-15-25)18-28(27)36(24-6-3-7-24)30(29)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(28-18-32-19-38-28)26-12-11-25(39-24-13-15-37-16-14-24)17-27(26)35(30)23-5-2-6-23;1-2-38-21-13-14-22-23(15-21)36(20-7-4-8-20)26(25(22)27-35-24(16-39-27)29(30,31)32)17-9-11-19(12-10-17)34-28(37)33-18-5-3-6-18/h9-14,19-20,23,25-26H,3-8,15-18H2,1-2H3,(H2,34,35,39);9-14,19,23,25-26H,3-8,15-18H2,1-2H3,(H2,35,36,38);7-12,17-18,20,22-23H,1-6,13-16H2,(H2,36,37,40);8-14,17,20,22,24-25H,2-7,15-16,18-19H2,1H3,(H2,33,34,38);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);9-16,18,20H,2-8H2,1H3,(H2,33,34,37)
InChIKeySZKPNBJFOCOTJD-UHFFFAOYSA-N
XLogP58.74
TPSA685.61 Ų
H-Bond Donors16
H-Bond Acceptors47
Rotatable Bonds56
Heavy Atoms323
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004405.31
LogP ≤ 558.74
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1047

Analyze 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea with MolForge

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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-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea?
The IUPAC name of 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea (CID 160980286) is 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-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-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea is CCOc1ccc2c(-c3nc(C(F)(F)F)co3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.Cc1cn(C)nc1-c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.Cc1coc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.Cc1csc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.Cc1nc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)oc1C.Cn1ccc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.O=C(Nc1ccc(-c2c(-c3cnco3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea?
The InChIKey is SZKPNBJFOCOTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O3.C33H38N4O4.C32H33F3N4O4.C32H37N5O3.C32H36N4O4.C32H36N4O3S.C31H34N4O4.C29H29F3N4O3/c1-21-20-37(2)36-31(21)30-28-14-13-27(41-26-15-17-40-18-16-26)19-29(28)38(25-7-4-8-25)32(30)22-9-11-24(12-10-22)35-33(39)34-23-5-3-6-23;1-20-21(2)40-32(34-20)30-28-14-13-27(41-26-15-17-39-18-16-26)19-29(28)37(25-7-4-8-25)31(30)22-9-11-24(12-10-22)36-33(38)35-23-5-3-6-23;33-32(34,35)27-18-42-30(38-27)28-25-12-11-24(43-23-13-15-41-16-14-23)17-26(25)39(22-5-2-6-22)29(28)19-7-9-21(10-8-19)37-31(40)36-20-3-1-4-20;1-36-17-14-28(35-36)30-27-13-12-26(40-25-15-18-39-19-16-25)20-29(27)37(24-6-3-7-24)31(30)21-8-10-23(11-9-21)34-32(38)33-22-4-2-5-22;1-20-19-39-31(33-20)29-27-13-12-26(40-25-14-16-38-17-15-25)18-28(27)36(24-6-3-7-24)30(29)21-8-10-23(11-9-21)35-32(37)34-22-4-2-5-22;1-20-19-40-31(33-20)29-27-13-12-26(39-25-14-16-38-17-15-25)18-28(27)36(24-6-3-7-24)30(29)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(28-18-32-19-38-28)26-12-11-25(39-24-13-15-37-16-14-24)17-27(26)35(30)23-5-2-6-23;1-2-38-21-13-14-22-23(15-21)36(20-7-4-8-20)26(25(22)27-35-24(16-39-27)29(30,31)32)17-9-11-19(12-10-17)34-28(37)33-18-5-3-6-18/h9-14,19-20,23,25-26H,3-8,15-18H2,1-2H3,(H2,34,35,39);9-14,19,23,25-26H,3-8,15-18H2,1-2H3,(H2,35,36,38);7-12,17-18,20,22-23H,1-6,13-16H2,(H2,36,37,40);8-14,17,20,22,24-25H,2-7,15-16,18-19H2,1H3,(H2,33,34,38);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);9-16,18,20H,2-8H2,1H3,(H2,33,34,37).
What are the key properties of 1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea?
1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea has a molecular weight of 4405.31 g/mol, XLogP of 58.74, 56 rotatable bonds, 16 hydrogen bond donors, and 47 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-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1,3-thiazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]urea is sourced from PubChem (CID 160980286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).