2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid

C88H68F12N8O12 — CID 158889311

IUPAC2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2c(CC(=O)O)cccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cc(CC(=O)O)ccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2ccc(CC(=O)O)cc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cccc(CC(=O)O)c21
InChIInChI=1S/4C22H17F3N2O3/c1-13-19(30-21(26-13)15-3-5-17(6-4-15)22(23,24)25)12-27-9-8-16-10-14(11-20(28)29)2-7-18(16)27;1-13-19(30-21(26-13)16-4-6-17(7-5-16)22(23,24)25)12-27-9-8-15-3-2-14(10-18(15)27)11-20(28)29;1-13-19(30-21(26-13)14-5-7-16(8-6-14)22(23,24)25)12-27-10-9-17-15(11-20(28)29)3-2-4-18(17)27;1-13-18(30-21(26-13)15-5-7-17(8-6-15)22(23,24)25)12-27-10-9-14-3-2-4-16(20(14)27)11-19(28)29/h4*2-10H,11-12H2,1H3,(H,28,29)
InChIKeyJEAGJUKMCQGTMN-UHFFFAOYSA-N
MW1657.53 g/mol
LogP21.20
Rot. Bonds20

About 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid

2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid (PubChem CID 158889311) has the molecular formula C88H68F12N8O12 and a molecular weight of 1657.53 g/mol. Its IUPAC name is 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid
PubChem CID158889311
Molecular FormulaC88H68F12N8O12
Molecular Weight1657.53 g/mol
Exact Mass1656.48
IUPAC Name2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2c(CC(=O)O)cccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cc(CC(=O)O)ccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2ccc(CC(=O)O)cc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cccc(CC(=O)O)c21
InChIInChI=1S/4C22H17F3N2O3/c1-13-19(30-21(26-13)15-3-5-17(6-4-15)22(23,24)25)12-27-9-8-16-10-14(11-20(28)29)2-7-18(16)27;1-13-19(30-21(26-13)16-4-6-17(7-5-16)22(23,24)25)12-27-9-8-15-3-2-14(10-18(15)27)11-20(28)29;1-13-19(30-21(26-13)14-5-7-16(8-6-14)22(23,24)25)12-27-10-9-17-15(11-20(28)29)3-2-4-18(17)27;1-13-18(30-21(26-13)15-5-7-17(8-6-15)22(23,24)25)12-27-10-9-14-3-2-4-16(20(14)27)11-19(28)29/h4*2-10H,11-12H2,1H3,(H,28,29)
InChIKeyJEAGJUKMCQGTMN-UHFFFAOYSA-N
XLogP21.20
TPSA273.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.53
LogP ≤ 521.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid with MolForge

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Related Compounds

2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethyl]indol-3-yl]acetic Acid
CID 11495638
2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic Acid
CID 11509872
3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]propanoic Acid
CID 11510197
2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic Acid
CID 11553410
3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]propanoic Acid
CID 11560978
2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic Acid
CID 11582386
3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]propanoic Acid
CID 11647606
2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic Acid
CID 11704335
3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]propanoic Acid
CID 11704619
1,1,1,3,3,3-hexafluoro-2-{2-methyl-1-[2-(2-methyl-5-phenyl-oxazol-4-yl)-ethyl]-2,3-dihydro-1H-indol-5-yl}-propan-2-ol 1,1,1,3,3,3-hexafluoro-2-{2-methyl-1-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl]-2,3-dihydro-1H-indol-5-yl}-propan-2-ol
CID 21082192
[2-[5-[2-[5-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetyl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetate
CID 91414193
ethane;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentan-1-amine;[(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentyl]-dimethylazanium;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,N,3-trimethylpentan-1-amine;(2R)-1-(1H-indol-3-yl)propan-2-amine;(2R,4S)-N-[1-(1H-indol-3-yl)propan-2-yl]-4-methyl-2-(methylamino)hexanamide;methane;(2R,4S)-4-methyl-2-(methylamino)hexanoic acid;2,2,2-trifluoroacetic acid
CID 157172983

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid?
The IUPAC name of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid (CID 158889311) is 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid.
What is the SMILES notation for 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid?
The canonical SMILES for 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2c(CC(=O)O)cccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cc(CC(=O)O)ccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2ccc(CC(=O)O)cc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cccc(CC(=O)O)c21.
What is the InChIKey of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid?
The InChIKey is JEAGJUKMCQGTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H17F3N2O3/c1-13-19(30-21(26-13)15-3-5-17(6-4-15)22(23,24)25)12-27-9-8-16-10-14(11-20(28)29)2-7-18(16)27;1-13-19(30-21(26-13)16-4-6-17(7-5-16)22(23,24)25)12-27-9-8-15-3-2-14(10-18(15)27)11-20(28)29;1-13-19(30-21(26-13)14-5-7-16(8-6-14)22(23,24)25)12-27-10-9-17-15(11-20(28)29)3-2-4-18(17)27;1-13-18(30-21(26-13)15-5-7-17(8-6-15)22(23,24)25)12-27-10-9-14-3-2-4-16(20(14)27)11-19(28)29/h4*2-10H,11-12H2,1H3,(H,28,29).
What are the key properties of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid?
2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid has a molecular weight of 1657.53 g/mol, XLogP of 21.20, 20 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid is sourced from PubChem (CID 158889311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).