5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole

C20H10F3N3O — CID 121349951

IUPAC5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1cc(F)c(-c2nc3occn3c2-c2ccc3ncccc3c2)cc1F
InChIInChI=1S/C20H10F3N3O/c21-14-10-16(23)15(22)9-13(14)18-19(26-6-7-27-20(26)25-18)12-3-4-17-11(8-12)2-1-5-24-17/h1-10H
InChIKeyVDINSAUPMRKEON-UHFFFAOYSA-N
MW365.31 g/mol
LogP5.23
Rot. Bonds2

About 5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole

5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 121349951) has the molecular formula C20H10F3N3O and a molecular weight of 365.31 g/mol. Its IUPAC name is 5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID121349951
Molecular FormulaC20H10F3N3O
Molecular Weight365.31 g/mol
Exact Mass365.08
IUPAC Name5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1cc(F)c(-c2nc3occn3c2-c2ccc3ncccc3c2)cc1F
InChIInChI=1S/C20H10F3N3O/c21-14-10-16(23)15(22)9-13(14)18-19(26-6-7-27-20(26)25-18)12-3-4-17-11(8-12)2-1-5-24-17/h1-10H
InChIKeyVDINSAUPMRKEON-UHFFFAOYSA-N
XLogP5.23
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.31
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole (CID 121349951) is 5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole is Fc1cc(F)c(-c2nc3occn3c2-c2ccc3ncccc3c2)cc1F.
What is the InChIKey of 5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is VDINSAUPMRKEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F3N3O/c21-14-10-16(23)15(22)9-13(14)18-19(26-6-7-27-20(26)25-18)12-3-4-17-11(8-12)2-1-5-24-17/h1-10H.
What are the key properties of 5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 365.31 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 121349951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).