2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid

C155H119F23N14O22S6 — CID 159199589

IUPAC2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc2c(ccn2CC(=O)O)c1.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CSc1ccc2c(ccn2CC(=O)O)c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc2[nH]cc(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1cccc2ccn(CC(=O)O)c12.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1CSc1ccc2[nH]cc(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1CSc1cccc2ccn(CC(=O)O)c12.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)cc(C)n2CC(=O)O
InChIInChI=1S/C23H19F3N2O3S.C22H16F4N2O3S.C22H16F4N2O2S2.2C22H17F3N2O4.2C22H17F3N2O3S/c1-13-9-16-10-18(7-8-19(16)28(13)11-21(29)30)31-12-20-14(2)27-22(32-20)15-3-5-17(6-4-15)23(24,25)26;2*1-12-19(32-21(27-12)14-2-4-16(17(23)9-14)22(24,25)26)11-31-15-3-5-18-13(8-15)6-7-28(18)10-20(29)30;1-12-19(31-21(27-12)13-2-4-15(5-3-13)22(23,24)25)11-30-16-6-7-18-17(9-16)14(10-26-18)8-20(28)29;1-13-18(31-21(26-13)15-5-7-16(8-6-15)22(23,24)25)12-30-17-4-2-3-14-9-10-27(20(14)17)11-19(28)29;1-12-19(30-21(27-12)13-2-4-15(5-3-13)22(23,24)25)11-31-16-6-7-18-17(9-16)14(10-26-18)8-20(28)29;1-13-17(30-21(26-13)15-5-7-16(8-6-15)22(23,24)25)12-31-18-4-2-3-14-9-10-27(20(14)18)11-19(28)29/h3-10H,11-12H2,1-2H3,(H,29,30);2*2-9H,10-11H2,1H3,(H,29,30);2-7,9-10,26H,8,11H2,1H3,(H,28,29);2-10H,11-12H2,1H3,(H,28,29);2-7,9-10,26H,8,11H2,1H3,(H,28,29);2-10H,11-12H2,1H3,(H,28,29)
InChIKeyKPCQKIIGZMEVLT-UHFFFAOYSA-N
MW3159.09 g/mol
LogP41.28
Rot. Bonds42

About 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid

2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid (PubChem CID 159199589) has the molecular formula C155H119F23N14O22S6 and a molecular weight of 3159.09 g/mol. Its IUPAC name is 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid
PubChem CID159199589
Molecular FormulaC155H119F23N14O22S6
Molecular Weight3159.09 g/mol
Exact Mass3156.66
IUPAC Name2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc2c(ccn2CC(=O)O)c1.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CSc1ccc2c(ccn2CC(=O)O)c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc2[nH]cc(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1cccc2ccn(CC(=O)O)c12.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1CSc1ccc2[nH]cc(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1CSc1cccc2ccn(CC(=O)O)c12.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)cc(C)n2CC(=O)O
InChIInChI=1S/C23H19F3N2O3S.C22H16F4N2O3S.C22H16F4N2O2S2.2C22H17F3N2O4.2C22H17F3N2O3S/c1-13-9-16-10-18(7-8-19(16)28(13)11-21(29)30)31-12-20-14(2)27-22(32-20)15-3-5-17(6-4-15)23(24,25)26;2*1-12-19(32-21(27-12)14-2-4-16(17(23)9-14)22(24,25)26)11-31-15-3-5-18-13(8-15)6-7-28(18)10-20(29)30;1-12-19(31-21(27-12)13-2-4-15(5-3-13)22(23,24)25)11-30-16-6-7-18-17(9-16)14(10-26-18)8-20(28)29;1-13-18(31-21(26-13)15-5-7-16(8-6-15)22(23,24)25)12-30-17-4-2-3-14-9-10-27(20(14)17)11-19(28)29;1-12-19(30-21(27-12)13-2-4-15(5-3-13)22(23,24)25)11-31-16-6-7-18-17(9-16)14(10-26-18)8-20(28)29;1-13-17(30-21(26-13)15-5-7-16(8-6-15)22(23,24)25)12-31-18-4-2-3-14-9-10-27(20(14)18)11-19(28)29/h3-10H,11-12H2,1-2H3,(H,29,30);2*2-9H,10-11H2,1H3,(H,29,30);2-7,9-10,26H,8,11H2,1H3,(H,28,29);2-10H,11-12H2,1H3,(H,28,29);2-7,9-10,26H,8,11H2,1H3,(H,28,29);2-10H,11-12H2,1H3,(H,28,29)
InChIKeyKPCQKIIGZMEVLT-UHFFFAOYSA-N
XLogP41.28
TPSA497.04 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds42
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003159.09
LogP ≤ 541.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid with MolForge

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Related Compounds

2-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]indol-1-yl]acetic acid;2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid
CID 69709552
3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoic acid;2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]-1H-indol-3-yl]-2-methylpropanoic acid
CID 87958156
3-[5-[2-[2-(2-chlorophenyl)-5-ethyl-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]propanoic acid;2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]-1H-indol-3-yl]-2-methylpropanoic acid
CID 87958237
2-[5-[1-[4-Ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid;2-[5-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid
CID 87963358
4-[3-carboxy-1-(1H-indol-5-yloxy)propyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid;2-[5-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid
CID 87963942
[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate
CID 91083136
2-[4-[[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid
CID 157508574
2-[5-[[2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[3-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[7-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[7-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid
CID 158764431
2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1-benzofuran-6-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1,3-benzothiazol-6-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1-benzofuran-6-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1,3-benzothiazol-6-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-5-yl]acetic acid
CID 159637613
2-Methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid
CID 159780808
2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid
CID 159785075
2-[1-[[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid
CID 160199368

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid (CID 159199589) is 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid is Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc2c(ccn2CC(=O)O)c1.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CSc1ccc2c(ccn2CC(=O)O)c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc2[nH]cc(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1cccc2ccn(CC(=O)O)c12.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1CSc1ccc2[nH]cc(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1CSc1cccc2ccn(CC(=O)O)c12.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)cc(C)n2CC(=O)O.
What is the InChIKey of 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid?
The InChIKey is KPCQKIIGZMEVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3S.C22H16F4N2O3S.C22H16F4N2O2S2.2C22H17F3N2O4.2C22H17F3N2O3S/c1-13-9-16-10-18(7-8-19(16)28(13)11-21(29)30)31-12-20-14(2)27-22(32-20)15-3-5-17(6-4-15)23(24,25)26;2*1-12-19(32-21(27-12)14-2-4-16(17(23)9-14)22(24,25)26)11-31-15-3-5-18-13(8-15)6-7-28(18)10-20(29)30;1-12-19(31-21(27-12)13-2-4-15(5-3-13)22(23,24)25)11-30-16-6-7-18-17(9-16)14(10-26-18)8-20(28)29;1-13-18(31-21(26-13)15-5-7-16(8-6-15)22(23,24)25)12-30-17-4-2-3-14-9-10-27(20(14)17)11-19(28)29;1-12-19(30-21(27-12)13-2-4-15(5-3-13)22(23,24)25)11-31-16-6-7-18-17(9-16)14(10-26-18)8-20(28)29;1-13-17(30-21(26-13)15-5-7-16(8-6-15)22(23,24)25)12-31-18-4-2-3-14-9-10-27(20(14)18)11-19(28)29/h3-10H,11-12H2,1-2H3,(H,29,30);2*2-9H,10-11H2,1H3,(H,29,30);2-7,9-10,26H,8,11H2,1H3,(H,28,29);2-10H,11-12H2,1H3,(H,28,29);2-7,9-10,26H,8,11H2,1H3,(H,28,29);2-10H,11-12H2,1H3,(H,28,29).
What are the key properties of 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid?
2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid has a molecular weight of 3159.09 g/mol, XLogP of 41.28, 42 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[2-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid is sourced from PubChem (CID 159199589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).