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

C19H9F3N4O — CID 121350272

IUPAC5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3nccnc3c2)c(F)c1F
InChIInChI=1S/C19H9F3N4O/c20-12-3-2-11(15(21)16(12)22)17-18(26-7-8-27-19(26)25-17)10-1-4-13-14(9-10)24-6-5-23-13/h1-9H
InChIKeyQCVPSYNVOSQDFL-UHFFFAOYSA-N
MW366.30 g/mol
LogP4.62
Rot. Bonds2

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

5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 121350272) has the molecular formula C19H9F3N4O and a molecular weight of 366.30 g/mol. Its IUPAC name is 5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID121350272
Molecular FormulaC19H9F3N4O
Molecular Weight366.30 g/mol
Exact Mass366.07
IUPAC Name5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3nccnc3c2)c(F)c1F
InChIInChI=1S/C19H9F3N4O/c20-12-3-2-11(15(21)16(12)22)17-18(26-7-8-27-19(26)25-17)10-1-4-13-14(9-10)24-6-5-23-13/h1-9H
InChIKeyQCVPSYNVOSQDFL-UHFFFAOYSA-N
XLogP4.62
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole (CID 121350272) is 5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole is Fc1ccc(-c2nc3occn3c2-c2ccc3nccnc3c2)c(F)c1F.
What is the InChIKey of 5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is QCVPSYNVOSQDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F3N4O/c20-12-3-2-11(15(21)16(12)22)17-18(26-7-8-27-19(26)25-17)10-1-4-13-14(9-10)24-6-5-23-13/h1-9H.
What are the key properties of 5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 366.30 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinoxalin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 121350272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).