5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide

C26H20F9N3O3 — CID 58319064

IUPAC5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide
SMILESCc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)NCC(=O)CCC(F)(F)F)c4cccn34)=NO2)c1
InChIInChI=1S/C26H20F9N3O3/c1-14-9-15(11-16(10-14)25(30,31)32)23(26(33,34)35)12-19(37-41-23)21-5-4-18(20-3-2-8-38(20)21)22(40)36-13-17(39)6-7-24(27,28)29/h2-5,8-11H,6-7,12-13H2,1H3,(H,36,40)
InChIKeyQPQKBZIBLCQLBT-UHFFFAOYSA-N
MW593.45 g/mol
LogP6.49
Rot. Bonds7

About 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide

5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide (PubChem CID 58319064) has the molecular formula C26H20F9N3O3 and a molecular weight of 593.45 g/mol. Its IUPAC name is 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide.

Molecular Properties

Compound Name5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide
PubChem CID58319064
Molecular FormulaC26H20F9N3O3
Molecular Weight593.45 g/mol
Exact Mass593.14
IUPAC Name5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide
SMILESCc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)NCC(=O)CCC(F)(F)F)c4cccn34)=NO2)c1
InChIInChI=1S/C26H20F9N3O3/c1-14-9-15(11-16(10-14)25(30,31)32)23(26(33,34)35)12-19(37-41-23)21-5-4-18(20-3-2-8-38(20)21)22(40)36-13-17(39)6-7-24(27,28)29/h2-5,8-11H,6-7,12-13H2,1H3,(H,36,40)
InChIKeyQPQKBZIBLCQLBT-UHFFFAOYSA-N
XLogP6.49
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.45
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)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-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide?
The IUPAC name of 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide (CID 58319064) is 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide.
What is the SMILES notation for 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide?
The canonical SMILES for 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide is Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)NCC(=O)CCC(F)(F)F)c4cccn34)=NO2)c1.
What is the InChIKey of 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide?
The InChIKey is QPQKBZIBLCQLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F9N3O3/c1-14-9-15(11-16(10-14)25(30,31)32)23(26(33,34)35)12-19(37-41-23)21-5-4-18(20-3-2-8-38(20)21)22(40)36-13-17(39)6-7-24(27,28)29/h2-5,8-11H,6-7,12-13H2,1H3,(H,36,40).
What are the key properties of 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide?
5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide has a molecular weight of 593.45 g/mol, XLogP of 6.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide is sourced from PubChem (CID 58319064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).