2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid

C122H111F6N19O20S — CID 161451042

IUPAC2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid
SMILESCCCc1c(OCCCn2ccc3cc(/C=C4\SC(=O)NC4=O)ccc32)ccc2c(C(F)(F)F)noc12.Cc1ccc2cc(OCCCOc3cccc4c3ccn4CC(=O)O)ccc2n1.Cc1nc(-c2ccc(OCCCOc3ccc4c(ccn4CC(=O)O)c3)cc2)no1.O=C(O)Cn1ccc2c(OCCCOc3ccnc4c(C(F)(F)F)cccc34)cccc21.c1cc(OCCCOc2ccc(-c3nn[nH]n3)cc2)c2ccn(CCCOc3ccc(-c4nn[nH]n4)cc3)c2c1
InChIInChI=1S/C28H27N9O3.C26H22F3N3O4S.C23H19F3N2O4.C23H22N2O4.C22H21N3O5/c1-4-25-24(14-16-37(25)15-2-17-38-22-10-6-20(7-11-22)27-29-33-34-30-27)26(5-1)40-19-3-18-39-23-12-8-21(9-13-23)28-31-35-36-32-28;1-2-4-17-20(8-6-18-22(17)36-31-23(18)26(27,28)29)35-12-3-10-32-11-9-16-13-15(5-7-19(16)32)14-21-24(33)30-25(34)37-21;24-23(25,26)17-5-1-4-16-20(8-10-27-22(16)17)32-13-3-12-31-19-7-2-6-18-15(19)9-11-28(18)14-21(29)30;1-16-6-7-17-14-18(8-9-20(17)24-16)28-12-3-13-29-22-5-2-4-21-19(22)10-11-25(21)15-23(26)27;1-15-23-22(24-30-15)16-3-5-18(6-4-16)28-11-2-12-29-19-7-8-20-17(13-19)9-10-25(20)14-21(26)27/h1,4-14,16H,2-3,15,17-19H2,(H,29,30,33,34)(H,31,32,35,36);5-9,11,13-14H,2-4,10,12H2,1H3,(H,30,33,34);1-2,4-11H,3,12-14H2,(H,29,30);2,4-11,14H,3,12-13,15H2,1H3,(H,26,27);3-10,13H,2,11-12,14H2,1H3,(H,26,27)/b;21-14-;;;
InChIKeyWANMAVSLWDBSSS-WXWWPDRCSA-N
MW2309.40 g/mol
LogP24.37
Rot. Bonds46

About 2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid

2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid (PubChem CID 161451042) has the molecular formula C122H111F6N19O20S and a molecular weight of 2309.40 g/mol. Its IUPAC name is 2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid
PubChem CID161451042
Molecular FormulaC122H111F6N19O20S
Molecular Weight2309.40 g/mol
Exact Mass2307.79
IUPAC Name2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid
SMILESCCCc1c(OCCCn2ccc3cc(/C=C4\SC(=O)NC4=O)ccc32)ccc2c(C(F)(F)F)noc12.Cc1ccc2cc(OCCCOc3cccc4c3ccn4CC(=O)O)ccc2n1.Cc1nc(-c2ccc(OCCCOc3ccc4c(ccn4CC(=O)O)c3)cc2)no1.O=C(O)Cn1ccc2c(OCCCOc3ccnc4c(C(F)(F)F)cccc34)cccc21.c1cc(OCCCOc2ccc(-c3nn[nH]n3)cc2)c2ccn(CCCOc3ccc(-c4nn[nH]n4)cc3)c2c1
InChIInChI=1S/C28H27N9O3.C26H22F3N3O4S.C23H19F3N2O4.C23H22N2O4.C22H21N3O5/c1-4-25-24(14-16-37(25)15-2-17-38-22-10-6-20(7-11-22)27-29-33-34-30-27)26(5-1)40-19-3-18-39-23-12-8-21(9-13-23)28-31-35-36-32-28;1-2-4-17-20(8-6-18-22(17)36-31-23(18)26(27,28)29)35-12-3-10-32-11-9-16-13-15(5-7-19(16)32)14-21-24(33)30-25(34)37-21;24-23(25,26)17-5-1-4-16-20(8-10-27-22(16)17)32-13-3-12-31-19-7-2-6-18-15(19)9-11-28(18)14-21(29)30;1-16-6-7-17-14-18(8-9-20(17)24-16)28-12-3-13-29-22-5-2-4-21-19(22)10-11-25(21)15-23(26)27;1-15-23-22(24-30-15)16-3-5-18(6-4-16)28-11-2-12-29-19-7-8-20-17(13-19)9-10-25(20)14-21(26)27/h1,4-14,16H,2-3,15,17-19H2,(H,29,30,33,34)(H,31,32,35,36);5-9,11,13-14H,2-4,10,12H2,1H3,(H,30,33,34);1-2,4-11H,3,12-14H2,(H,29,30);2,4-11,14H,3,12-13,15H2,1H3,(H,26,27);3-10,13H,2,11-12,14H2,1H3,(H,26,27)/b;21-14-;;;
InChIKeyWANMAVSLWDBSSS-WXWWPDRCSA-N
XLogP24.37
TPSA474.67 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds46
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002309.40
LogP ≤ 524.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid 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-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid (CID 161451042) is 2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid is CCCc1c(OCCCn2ccc3cc(/C=C4\SC(=O)NC4=O)ccc32)ccc2c(C(F)(F)F)noc12.Cc1ccc2cc(OCCCOc3cccc4c3ccn4CC(=O)O)ccc2n1.Cc1nc(-c2ccc(OCCCOc3ccc4c(ccn4CC(=O)O)c3)cc2)no1.O=C(O)Cn1ccc2c(OCCCOc3ccnc4c(C(F)(F)F)cccc34)cccc21.c1cc(OCCCOc2ccc(-c3nn[nH]n3)cc2)c2ccn(CCCOc3ccc(-c4nn[nH]n4)cc3)c2c1.
What is the InChIKey of 2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid?
The InChIKey is WANMAVSLWDBSSS-WXWWPDRCSA-N. The full InChI is InChI=1S/C28H27N9O3.C26H22F3N3O4S.C23H19F3N2O4.C23H22N2O4.C22H21N3O5/c1-4-25-24(14-16-37(25)15-2-17-38-22-10-6-20(7-11-22)27-29-33-34-30-27)26(5-1)40-19-3-18-39-23-12-8-21(9-13-23)28-31-35-36-32-28;1-2-4-17-20(8-6-18-22(17)36-31-23(18)26(27,28)29)35-12-3-10-32-11-9-16-13-15(5-7-19(16)32)14-21-24(33)30-25(34)37-21;24-23(25,26)17-5-1-4-16-20(8-10-27-22(16)17)32-13-3-12-31-19-7-2-6-18-15(19)9-11-28(18)14-21(29)30;1-16-6-7-17-14-18(8-9-20(17)24-16)28-12-3-13-29-22-5-2-4-21-19(22)10-11-25(21)15-23(26)27;1-15-23-22(24-30-15)16-3-5-18(6-4-16)28-11-2-12-29-19-7-8-20-17(13-19)9-10-25(20)14-21(26)27/h1,4-14,16H,2-3,15,17-19H2,(H,29,30,33,34)(H,31,32,35,36);5-9,11,13-14H,2-4,10,12H2,1H3,(H,30,33,34);1-2,4-11H,3,12-14H2,(H,29,30);2,4-11,14H,3,12-13,15H2,1H3,(H,26,27);3-10,13H,2,11-12,14H2,1H3,(H,26,27)/b;21-14-;;;.
What are the key properties of 2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid?
2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid has a molecular weight of 2309.40 g/mol, XLogP of 24.37, 46 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-(2-methylquinolin-6-yl)oxypropoxy]indol-1-yl]acetic acid;(5Z)-5-[[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione;4-[3-[4-(2H-tetrazol-5-yl)phenoxy]propoxy]-1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]indole;2-[4-[3-[8-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 161451042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).