2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole

C94H96F9N13O14 — CID 160847949

IUPAC2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole
SMILESCCCc1c(OCCCOc2cccc3c2ccn3Cc2nn[nH]n2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCn2cc(C(=O)C(F)(F)F)c3c(OC(C)(C)C(=O)O)cccc32)ccc2c(C(F)(F)F)noc12.CN(CCn1ccc2c(OCC(=O)O)cccc21)c1ccccn1.Cc1c(C)n(CCCn2ccc3c(OC(C)(C)O)cccc32)c2ccccc12
InChIInChI=1S/C28H26F6N2O6.C24H23F3N6O3.C24H28N2O2.C18H19N3O3/c1-4-7-15-19(11-10-16-22(15)42-35-23(16)27(29,30)31)40-13-6-12-36-14-17(24(37)28(32,33)34)21-18(36)8-5-9-20(21)41-26(2,3)25(38)39;1-2-5-16-20(9-8-17-22(16)36-30-23(17)24(25,26)27)35-13-4-12-34-19-7-3-6-18-15(19)10-11-33(18)14-21-28-31-32-29-21;1-17-18(2)26(22-10-6-5-9-19(17)22)15-8-14-25-16-13-20-21(25)11-7-12-23(20)28-24(3,4)27;1-20(17-7-2-3-9-19-17)11-12-21-10-8-14-15(21)5-4-6-16(14)24-13-18(22)23/h5,8-11,14H,4,6-7,12-13H2,1-3H3,(H,38,39);3,6-11H,2,4-5,12-14H2,1H3,(H,28,29,31,32);5-7,9-13,16,27H,8,14-15H2,1-4H3;2-10H,11-13H2,1H3,(H,22,23)
InChIKeySIWQXUZNMUHZRM-UHFFFAOYSA-N
MW1802.86 g/mol
LogP20.42
Rot. Bonds34

About 2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole

2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole (PubChem CID 160847949) has the molecular formula C94H96F9N13O14 and a molecular weight of 1802.86 g/mol. Its IUPAC name is 2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole
PubChem CID160847949
Molecular FormulaC94H96F9N13O14
Molecular Weight1802.86 g/mol
Exact Mass1801.71
IUPAC Name2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole
SMILESCCCc1c(OCCCOc2cccc3c2ccn3Cc2nn[nH]n2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCn2cc(C(=O)C(F)(F)F)c3c(OC(C)(C)C(=O)O)cccc32)ccc2c(C(F)(F)F)noc12.CN(CCn1ccc2c(OCC(=O)O)cccc21)c1ccccn1.Cc1c(C)n(CCCn2ccc3c(OC(C)(C)O)cccc32)c2ccccc12
InChIInChI=1S/C28H26F6N2O6.C24H23F3N6O3.C24H28N2O2.C18H19N3O3/c1-4-7-15-19(11-10-16-22(15)42-35-23(16)27(29,30)31)40-13-6-12-36-14-17(24(37)28(32,33)34)21-18(36)8-5-9-20(21)41-26(2,3)25(38)39;1-2-5-16-20(9-8-17-22(16)36-30-23(17)24(25,26)27)35-13-4-12-34-19-7-3-6-18-15(19)10-11-33(18)14-21-28-31-32-29-21;1-17-18(2)26(22-10-6-5-9-19(17)22)15-8-14-25-16-13-20-21(25)11-7-12-23(20)28-24(3,4)27;1-20(17-7-2-3-9-19-17)11-12-21-10-8-14-15(21)5-4-6-16(14)24-13-18(22)23/h5,8-11,14H,4,6-7,12-13H2,1-3H3,(H,38,39);3,6-11H,2,4-5,12-14H2,1H3,(H,28,29,31,32);5-7,9-13,16,27H,8,14-15H2,1-4H3;2-10H,11-13H2,1H3,(H,22,23)
InChIKeySIWQXUZNMUHZRM-UHFFFAOYSA-N
XLogP20.42
TPSA314.58 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001802.86
LogP ≤ 520.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole?
The IUPAC name of 2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole (CID 160847949) is 2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole.
What is the SMILES notation for 2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole?
The canonical SMILES for 2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole is CCCc1c(OCCCOc2cccc3c2ccn3Cc2nn[nH]n2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCn2cc(C(=O)C(F)(F)F)c3c(OC(C)(C)C(=O)O)cccc32)ccc2c(C(F)(F)F)noc12.CN(CCn1ccc2c(OCC(=O)O)cccc21)c1ccccn1.Cc1c(C)n(CCCn2ccc3c(OC(C)(C)O)cccc32)c2ccccc12.
What is the InChIKey of 2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole?
The InChIKey is SIWQXUZNMUHZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F6N2O6.C24H23F3N6O3.C24H28N2O2.C18H19N3O3/c1-4-7-15-19(11-10-16-22(15)42-35-23(16)27(29,30)31)40-13-6-12-36-14-17(24(37)28(32,33)34)21-18(36)8-5-9-20(21)41-26(2,3)25(38)39;1-2-5-16-20(9-8-17-22(16)36-30-23(17)24(25,26)27)35-13-4-12-34-19-7-3-6-18-15(19)10-11-33(18)14-21-28-31-32-29-21;1-17-18(2)26(22-10-6-5-9-19(17)22)15-8-14-25-16-13-20-21(25)11-7-12-23(20)28-24(3,4)27;1-20(17-7-2-3-9-19-17)11-12-21-10-8-14-15(21)5-4-6-16(14)24-13-18(22)23/h5,8-11,14H,4,6-7,12-13H2,1-3H3,(H,38,39);3,6-11H,2,4-5,12-14H2,1H3,(H,28,29,31,32);5-7,9-13,16,27H,8,14-15H2,1-4H3;2-10H,11-13H2,1H3,(H,22,23).
What are the key properties of 2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole?
2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole has a molecular weight of 1802.86 g/mol, XLogP of 20.42, 34 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2,3-dimethylindol-1-yl)propyl]indol-4-yl]oxypropan-2-ol;2-methyl-2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-(2,2,2-trifluoroacetyl)indol-4-yl]oxypropanoic acid;2-[1-[2-[methyl(pyridin-2-yl)amino]ethyl]indol-4-yl]oxyacetic acid;7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-4-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole is sourced from PubChem (CID 160847949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).