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

C24H15F12N5O3 — CID 53252880

IUPAC8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(CNC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2nccn12)NCC(F)(F)F
InChIInChI=1S/C24H15F12N5O3/c25-21(26,27)10-39-17(42)9-38-19(43)16-2-1-14(18-37-3-4-41(16)18)15-8-20(44-40-15,24(34,35)36)11-5-12(22(28,29)30)7-13(6-11)23(31,32)33/h1-7H,8-10H2,(H,38,43)(H,39,42)
InChIKeyBYEUATBUHVRINL-UHFFFAOYSA-N
MW649.39 g/mol
LogP5.36
Rot. Bonds6

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

8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 53252880) has the molecular formula C24H15F12N5O3 and a molecular weight of 649.39 g/mol. Its IUPAC name is 8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID53252880
Molecular FormulaC24H15F12N5O3
Molecular Weight649.39 g/mol
Exact Mass649.10
IUPAC Name8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(CNC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2nccn12)NCC(F)(F)F
InChIInChI=1S/C24H15F12N5O3/c25-21(26,27)10-39-17(42)9-38-19(43)16-2-1-14(18-37-3-4-41(16)18)15-8-20(44-40-15,24(34,35)36)11-5-12(22(28,29)30)7-13(6-11)23(31,32)33/h1-7H,8-10H2,(H,38,43)(H,39,42)
InChIKeyBYEUATBUHVRINL-UHFFFAOYSA-N
XLogP5.36
TPSA97.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.39
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of 8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 53252880) is 8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for 8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for 8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-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)c2nccn12)NCC(F)(F)F.
What is the InChIKey of 8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is BYEUATBUHVRINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F12N5O3/c25-21(26,27)10-39-17(42)9-38-19(43)16-2-1-14(18-37-3-4-41(16)18)15-8-20(44-40-15,24(34,35)36)11-5-12(22(28,29)30)7-13(6-11)23(31,32)33/h1-7H,8-10H2,(H,38,43)(H,39,42).
What are the key properties of 8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 649.39 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 53252880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).