2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate

C76H54Cl3F24N9O10 — CID 157401775

IUPAC2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate
SMILESCOC(=O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12.NCC(=O)NCC(F)(F)F.O=C(CCC(=O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12)NCC(F)(F)F.O=C(O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12
InChIInChI=1S/C27H19ClF9N3O3.C23H15ClF6N2O3.C22H13ClF6N2O3.C4H7F3N2O/c28-17-11-15(10-16(12-17)26(32,33)34)24(27(35,36)37)13-18(39-43-24)3-4-19-5-6-20(21-2-1-9-40(19)21)22(41)7-8-23(42)38-14-25(29,30)31;1-34-20(33)18-7-6-17(32-8-2-3-19(18)32)5-4-16-12-21(35-31-16,23(28,29)30)13-9-14(22(25,26)27)11-15(24)10-13;23-14-9-12(8-13(10-14)21(24,25)26)20(22(27,28)29)11-15(30-34-20)3-4-16-5-6-17(19(32)33)18-2-1-7-31(16)18;5-4(6,7)2-9-3(10)1-8/h1-6,9-12H,7-8,13-14H2,(H,38,42);2-11H,12H2,1H3;1-10H,11H2,(H,32,33);1-2,8H2,(H,9,10)/b4-3+;5-4+;4-3+;
InChIKeyBNGFWLMJKOZYCZ-LYKPFFPQSA-N
MW1815.63 g/mol
LogP20.33
Rot. Bonds18

About 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate

2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate (PubChem CID 157401775) has the molecular formula C76H54Cl3F24N9O10 and a molecular weight of 1815.63 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate.

Molecular Properties

Compound Name2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate
PubChem CID157401775
Molecular FormulaC76H54Cl3F24N9O10
Molecular Weight1815.63 g/mol
Exact Mass1813.27
IUPAC Name2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate
SMILESCOC(=O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12.NCC(=O)NCC(F)(F)F.O=C(CCC(=O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12)NCC(F)(F)F.O=C(O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12
InChIInChI=1S/C27H19ClF9N3O3.C23H15ClF6N2O3.C22H13ClF6N2O3.C4H7F3N2O/c28-17-11-15(10-16(12-17)26(32,33)34)24(27(35,36)37)13-18(39-43-24)3-4-19-5-6-20(21-2-1-9-40(19)21)22(41)7-8-23(42)38-14-25(29,30)31;1-34-20(33)18-7-6-17(32-8-2-3-19(18)32)5-4-16-12-21(35-31-16,23(28,29)30)13-9-14(22(25,26)27)11-15(24)10-13;23-14-9-12(8-13(10-14)21(24,25)26)20(22(27,28)29)11-15(30-34-20)3-4-16-5-6-17(19(32)33)18-2-1-7-31(16)18;5-4(6,7)2-9-3(10)1-8/h1-6,9-12H,7-8,13-14H2,(H,38,42);2-11H,12H2,1H3;1-10H,11H2,(H,32,33);1-2,8H2,(H,9,10)/b4-3+;5-4+;4-3+;
InChIKeyBNGFWLMJKOZYCZ-LYKPFFPQSA-N
XLogP20.33
TPSA242.89 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001815.63
LogP ≤ 520.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate?
The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate (CID 157401775) is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate.
What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate?
The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate is COC(=O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12.NCC(=O)NCC(F)(F)F.O=C(CCC(=O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12)NCC(F)(F)F.O=C(O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12.
What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate?
The InChIKey is BNGFWLMJKOZYCZ-LYKPFFPQSA-N. The full InChI is InChI=1S/C27H19ClF9N3O3.C23H15ClF6N2O3.C22H13ClF6N2O3.C4H7F3N2O/c28-17-11-15(10-16(12-17)26(32,33)34)24(27(35,36)37)13-18(39-43-24)3-4-19-5-6-20(21-2-1-9-40(19)21)22(41)7-8-23(42)38-14-25(29,30)31;1-34-20(33)18-7-6-17(32-8-2-3-19(18)32)5-4-16-12-21(35-31-16,23(28,29)30)13-9-14(22(25,26)27)11-15(24)10-13;23-14-9-12(8-13(10-14)21(24,25)26)20(22(27,28)29)11-15(30-34-20)3-4-16-5-6-17(19(32)33)18-2-1-7-31(16)18;5-4(6,7)2-9-3(10)1-8/h1-6,9-12H,7-8,13-14H2,(H,38,42);2-11H,12H2,1H3;1-10H,11H2,(H,32,33);1-2,8H2,(H,9,10)/b4-3+;5-4+;4-3+;.
What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate?
2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate has a molecular weight of 1815.63 g/mol, XLogP of 20.33, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate is sourced from PubChem (CID 157401775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).