5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide

C25H16F12N4O3 — CID 53252745

About 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide

5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide (PubChem CID 53252745) has the molecular formula C25H16F12N4O3 and a molecular weight of 648.40 g/mol. Its IUPAC name is 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide
• PubChem CID: 53252745
• Molecular Formula: C25H16F12N4O3
• Molecular Weight: 648.40 g/mol
• Exact Mass: 648.10
• IUPAC Name: 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide
• SMILES: O=C(CNC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12)NCC(F)(F)F
• InChI: InChI=1S/C25H16F12N4O3/c26-22(27,28)11-39-19(42)10-38-20(43)15-3-4-18(41-5-1-2-17(15)41)16-9-21(44-40-16,25(35,36)37)12-6-13(23(29,30)31)8-14(7-12)24(32,33)34/h1-8H,9-11H2,(H,38,43)(H,39,42)
• InChIKey: VOYREUSHRNYTIU-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 84.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.40
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide?

The IUPAC name of 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide (CID 53252745) is 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide.

What is the SMILES notation for 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide?

The canonical SMILES for 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide is O=C(CNC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12)NCC(F)(F)F.

What is the InChIKey of 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide?

The InChIKey is VOYREUSHRNYTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F12N4O3/c26-22(27,28)11-39-19(42)10-38-20(43)15-3-4-18(41-5-1-2-17(15)41)16-9-21(44-40-16,25(35,36)37)12-6-13(23(29,30)31)8-14(7-12)24(32,33)34/h1-8H,9-11H2,(H,38,43)(H,39,42).

What are the key properties of 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide?

5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide has a molecular weight of 648.40 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]indolizine-8-carboxamide is sourced from PubChem (CID 53252745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).