5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine

C51H37Cl2F18N5O5 — CID 160900843

IUPAC5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine
SMILESNCCC(F)(F)F.O=C(CCCC(F)(F)F)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12.O=C(O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12
InChIInChI=1S/C26H18ClF9N2O2.C22H13ClF6N2O3.C3H6F3N/c27-17-12-15(11-16(13-17)25(31,32)33)23(26(34,35)36)14-18(37-40-23)5-6-19-7-8-20(21-3-2-10-38(19)21)22(39)4-1-9-24(28,29)30;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;4-3(5,6)1-2-7/h2-3,5-8,10-13H,1,4,9,14H2;1-10H,11H2,(H,32,33);1-2,7H2/b6-5+;4-3+;
InChIKeySPMCBVQOTYMDBB-DUMLXLGDSA-N
MW1212.76 g/mol
LogP16.23
Rot. Bonds12

About 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine

5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine (PubChem CID 160900843) has the molecular formula C51H37Cl2F18N5O5 and a molecular weight of 1212.76 g/mol. Its IUPAC name is 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine
PubChem CID160900843
Molecular FormulaC51H37Cl2F18N5O5
Molecular Weight1212.76 g/mol
Exact Mass1211.19
IUPAC Name5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine
SMILESNCCC(F)(F)F.O=C(CCCC(F)(F)F)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12.O=C(O)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12
InChIInChI=1S/C26H18ClF9N2O2.C22H13ClF6N2O3.C3H6F3N/c27-17-12-15(11-16(13-17)25(31,32)33)23(26(34,35)36)14-18(37-40-23)5-6-19-7-8-20(21-3-2-10-38(19)21)22(39)4-1-9-24(28,29)30;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;4-3(5,6)1-2-7/h2-3,5-8,10-13H,1,4,9,14H2;1-10H,11H2,(H,32,33);1-2,7H2/b6-5+;4-3+;
InChIKeySPMCBVQOTYMDBB-DUMLXLGDSA-N
XLogP16.23
TPSA132.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001212.76
LogP ≤ 516.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-(5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)indolizine-8-carboxylic acid
CID 67247370
5-(5-(3,5-Dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)indolizine-8-carboxylic acid
CID 86685527
5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid
CID 89577942
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid
CID 123492313
5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid
CID 134433926
methyl 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate
CID 134433935
5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid
CID 142327240
5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;ethane
CID 142327248
5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;ethane
CID 145582099
methyl 5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate
CID 153431450
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
1-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]indolizin-8-yl]-3-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)propan-1-one
CID 157712621

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine?
The IUPAC name of 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine (CID 160900843) is 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine is NCCC(F)(F)F.O=C(CCCC(F)(F)F)c1ccc(/C=C/C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12.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 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine?
The InChIKey is SPMCBVQOTYMDBB-DUMLXLGDSA-N. The full InChI is InChI=1S/C26H18ClF9N2O2.C22H13ClF6N2O3.C3H6F3N/c27-17-12-15(11-16(13-17)25(31,32)33)23(26(34,35)36)14-18(37-40-23)5-6-19-7-8-20(21-3-2-10-38(19)21)22(39)4-1-9-24(28,29)30;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;4-3(5,6)1-2-7/h2-3,5-8,10-13H,1,4,9,14H2;1-10H,11H2,(H,32,33);1-2,7H2/b6-5+;4-3+;.
What are the key properties of 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine?
5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine has a molecular weight of 1212.76 g/mol, XLogP of 16.23, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 160900843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).