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

C22H18Cl2F3N3O2S — CID 53252790

IUPAC5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide
SMILESCSCCNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)n2cccc12
InChIInChI=1S/C22H18Cl2F3N3O2S/c1-33-8-6-28-20(31)16-4-5-19(30-7-2-3-18(16)30)17-12-21(32-29-17,22(25,26)27)13-9-14(23)11-15(24)10-13/h2-5,7,9-11H,6,8,12H2,1H3,(H,28,31)
InChIKeyIQEQIZLMCAQWHR-UHFFFAOYSA-N
MW516.37 g/mol
LogP5.92
Rot. Bonds6

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

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide (PubChem CID 53252790) has the molecular formula C22H18Cl2F3N3O2S and a molecular weight of 516.37 g/mol. Its IUPAC name is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide.

Molecular Properties

Compound Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide
PubChem CID53252790
Molecular FormulaC22H18Cl2F3N3O2S
Molecular Weight516.37 g/mol
Exact Mass515.04
IUPAC Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide
SMILESCSCCNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)n2cccc12
InChIInChI=1S/C22H18Cl2F3N3O2S/c1-33-8-6-28-20(31)16-4-5-19(30-7-2-3-18(16)30)17-12-21(32-29-17,22(25,26)27)13-9-14(23)11-15(24)10-13/h2-5,7,9-11H,6,8,12H2,1H3,(H,28,31)
InChIKeyIQEQIZLMCAQWHR-UHFFFAOYSA-N
XLogP5.92
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.37
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)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]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide?
The IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide (CID 53252790) is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide.
What is the SMILES notation for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide?
The canonical SMILES for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide is CSCCNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)n2cccc12.
What is the InChIKey of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide?
The InChIKey is IQEQIZLMCAQWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F3N3O2S/c1-33-8-6-28-20(31)16-4-5-19(30-7-2-3-18(16)30)17-12-21(32-29-17,22(25,26)27)13-9-14(23)11-15(24)10-13/h2-5,7,9-11H,6,8,12H2,1H3,(H,28,31).
What are the key properties of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide?
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide has a molecular weight of 516.37 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide is sourced from PubChem (CID 53252790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).