5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide

C23H17Cl2F6N3O2 — CID 53252836

IUPAC5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide
SMILESCc1cc(C)n2c(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc(C(=O)NCC(F)(F)F)c12
InChIInChI=1S/C23H17Cl2F6N3O2/c1-11-5-12(2)34-18(4-3-16(19(11)34)20(35)32-10-22(26,27)28)17-9-21(36-33-17,23(29,30)31)13-6-14(24)8-15(25)7-13/h3-8H,9-10H2,1-2H3,(H,32,35)
InChIKeyBUPKZZUXVLRVMH-UHFFFAOYSA-N
MW552.30 g/mol
LogP6.74
Rot. Bonds4

About 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide (PubChem CID 53252836) has the molecular formula C23H17Cl2F6N3O2 and a molecular weight of 552.30 g/mol. Its IUPAC name is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide.

Molecular Properties

Compound Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide
PubChem CID53252836
Molecular FormulaC23H17Cl2F6N3O2
Molecular Weight552.30 g/mol
Exact Mass551.06
IUPAC Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide
SMILESCc1cc(C)n2c(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc(C(=O)NCC(F)(F)F)c12
InChIInChI=1S/C23H17Cl2F6N3O2/c1-11-5-12(2)34-18(4-3-16(19(11)34)20(35)32-10-22(26,27)28)17-9-21(36-33-17,23(29,30)31)13-6-14(24)8-15(25)7-13/h3-8H,9-10H2,1-2H3,(H,32,35)
InChIKeyBUPKZZUXVLRVMH-UHFFFAOYSA-N
XLogP6.74
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.30
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide 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 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide?
The IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide (CID 53252836) is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide.
What is the SMILES notation for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide?
The canonical SMILES for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide is Cc1cc(C)n2c(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc(C(=O)NCC(F)(F)F)c12.
What is the InChIKey of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide?
The InChIKey is BUPKZZUXVLRVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F6N3O2/c1-11-5-12(2)34-18(4-3-16(19(11)34)20(35)32-10-22(26,27)28)17-9-21(36-33-17,23(29,30)31)13-6-14(24)8-15(25)7-13/h3-8H,9-10H2,1-2H3,(H,32,35).
What are the key properties of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide?
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide has a molecular weight of 552.30 g/mol, XLogP of 6.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)indolizine-8-carboxamide is sourced from PubChem (CID 53252836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).