1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate

C131H144F3N13O19 — CID 159492363

IUPAC1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(-c3ccn(C)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(-c3cnco3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.Cc1coc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1
InChIInChI=1S/C33H34F3N3O5.C33H38N4O4.C33H37N3O5.C32H35N3O5/c1-19(20-5-6-20)43-32(40)37-22-9-7-21(8-10-22)30-29(31-38-28(18-42-31)33(34,35)36)26-12-11-25(44-24-13-15-41-16-14-24)17-27(26)39(30)23-3-2-4-23;1-21(22-6-7-22)40-33(38)34-24-10-8-23(9-11-24)32-31(29-14-17-36(2)35-29)28-13-12-27(41-26-15-18-39-19-16-26)20-30(28)37(32)25-4-3-5-25;1-20-19-39-32(34-20)30-28-13-12-27(41-26-14-16-38-17-15-26)18-29(28)36(25-4-3-5-25)31(30)23-8-10-24(11-9-23)35-33(37)40-21(2)22-6-7-22;1-20(21-5-6-21)39-32(36)34-23-9-7-22(8-10-23)31-30(29-18-33-19-38-29)27-12-11-26(40-25-13-15-37-16-14-25)17-28(27)35(31)24-3-2-4-24/h7-12,17-20,23-24H,2-6,13-16H2,1H3,(H,37,40);8-14,17,20-22,25-26H,3-7,15-16,18-19H2,1-2H3,(H,34,38);8-13,18-19,21-22,25-26H,3-7,14-17H2,1-2H3,(H,35,37);7-12,17-21,24-25H,2-6,13-16H2,1H3,(H,34,36)
InChIKeyLYIVSPQXKJQJLU-UHFFFAOYSA-N
MW2261.66 g/mol
LogP31.45
Rot. Bonds32

About 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate (PubChem CID 159492363) has the molecular formula C131H144F3N13O19 and a molecular weight of 2261.66 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
PubChem CID159492363
Molecular FormulaC131H144F3N13O19
Molecular Weight2261.66 g/mol
Exact Mass2260.07
IUPAC Name1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(-c3ccn(C)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(-c3cnco3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.Cc1coc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1
InChIInChI=1S/C33H34F3N3O5.C33H38N4O4.C33H37N3O5.C32H35N3O5/c1-19(20-5-6-20)43-32(40)37-22-9-7-21(8-10-22)30-29(31-38-28(18-42-31)33(34,35)36)26-12-11-25(44-24-13-15-41-16-14-24)17-27(26)39(30)23-3-2-4-23;1-21(22-6-7-22)40-33(38)34-24-10-8-23(9-11-24)32-31(29-14-17-36(2)35-29)28-13-12-27(41-26-15-18-39-19-16-26)20-30(28)37(32)25-4-3-5-25;1-20-19-39-32(34-20)30-28-13-12-27(41-26-14-16-38-17-15-26)18-29(28)36(25-4-3-5-25)31(30)23-8-10-24(11-9-23)35-33(37)40-21(2)22-6-7-22;1-20(21-5-6-21)39-32(36)34-23-9-7-22(8-10-23)31-30(29-18-33-19-38-29)27-12-11-26(40-25-13-15-37-16-14-25)17-28(27)35(31)24-3-2-4-24/h7-12,17-20,23-24H,2-6,13-16H2,1H3,(H,37,40);8-14,17,20-22,25-26H,3-7,15-16,18-19H2,1-2H3,(H,34,38);8-13,18-19,21-22,25-26H,3-7,14-17H2,1-2H3,(H,35,37);7-12,17-21,24-25H,2-6,13-16H2,1H3,(H,34,36)
InChIKeyLYIVSPQXKJQJLU-UHFFFAOYSA-N
XLogP31.45
TPSA342.79 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms166
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002261.66
LogP ≤ 531.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate (CID 159492363) is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(-c3ccn(C)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(-c3cnco3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.Cc1coc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.
What is the InChIKey of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?
The InChIKey is LYIVSPQXKJQJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N3O5.C33H38N4O4.C33H37N3O5.C32H35N3O5/c1-19(20-5-6-20)43-32(40)37-22-9-7-21(8-10-22)30-29(31-38-28(18-42-31)33(34,35)36)26-12-11-25(44-24-13-15-41-16-14-24)17-27(26)39(30)23-3-2-4-23;1-21(22-6-7-22)40-33(38)34-24-10-8-23(9-11-24)32-31(29-14-17-36(2)35-29)28-13-12-27(41-26-15-18-39-19-16-26)20-30(28)37(32)25-4-3-5-25;1-20-19-39-32(34-20)30-28-13-12-27(41-26-14-16-38-17-15-26)18-29(28)36(25-4-3-5-25)31(30)23-8-10-24(11-9-23)35-33(37)40-21(2)22-6-7-22;1-20(21-5-6-21)39-32(36)34-23-9-7-22(8-10-23)31-30(29-18-33-19-38-29)27-12-11-26(40-25-13-15-37-16-14-25)17-28(27)35(31)24-3-2-4-24/h7-12,17-20,23-24H,2-6,13-16H2,1H3,(H,37,40);8-14,17,20-22,25-26H,3-7,15-16,18-19H2,1-2H3,(H,34,38);8-13,18-19,21-22,25-26H,3-7,14-17H2,1-2H3,(H,35,37);7-12,17-21,24-25H,2-6,13-16H2,1H3,(H,34,36).
What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?
1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate has a molecular weight of 2261.66 g/mol, XLogP of 31.45, 32 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1-methylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159492363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).