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

C38H18F6N6O2S — CID 121350278

IUPAC5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3ncccc3c2)c(F)c1F.Fc1ccc(-c2nc3occn3c2-c2ccc3ncsc3c2)c(F)c1F
InChIInChI=1S/C20H10F3N3O.C18H8F3N3OS/c21-14-5-4-13(16(22)17(14)23)18-19(26-8-9-27-20(26)25-18)12-3-6-15-11(10-12)2-1-7-24-15;19-11-3-2-10(14(20)15(11)21)16-17(24-5-6-25-18(24)23-16)9-1-4-12-13(7-9)26-8-22-12/h1-10H;1-8H
InChIKeyUMNOQZWBJLMYJE-UHFFFAOYSA-N
MW736.66 g/mol
LogP10.52
Rot. Bonds4

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

5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 121350278) has the molecular formula C38H18F6N6O2S and a molecular weight of 736.66 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID121350278
Molecular FormulaC38H18F6N6O2S
Molecular Weight736.66 g/mol
Exact Mass736.11
IUPAC Name5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3ncccc3c2)c(F)c1F.Fc1ccc(-c2nc3occn3c2-c2ccc3ncsc3c2)c(F)c1F
InChIInChI=1S/C20H10F3N3O.C18H8F3N3OS/c21-14-5-4-13(16(22)17(14)23)18-19(26-8-9-27-20(26)25-18)12-3-6-15-11(10-12)2-1-7-24-15;19-11-3-2-10(14(20)15(11)21)16-17(24-5-6-25-18(24)23-16)9-1-4-12-13(7-9)26-8-22-12/h1-10H;1-8H
InChIKeyUMNOQZWBJLMYJE-UHFFFAOYSA-N
XLogP10.52
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.66
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole (CID 121350278) is 5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole is Fc1ccc(-c2nc3occn3c2-c2ccc3ncccc3c2)c(F)c1F.Fc1ccc(-c2nc3occn3c2-c2ccc3ncsc3c2)c(F)c1F.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is UMNOQZWBJLMYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F3N3O.C18H8F3N3OS/c21-14-5-4-13(16(22)17(14)23)18-19(26-8-9-27-20(26)25-18)12-3-6-15-11(10-12)2-1-7-24-15;19-11-3-2-10(14(20)15(11)21)16-17(24-5-6-25-18(24)23-16)9-1-4-12-13(7-9)26-8-22-12/h1-10H;1-8H.
What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?
5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 736.66 g/mol, XLogP of 10.52, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinolin-6-yl-6-(2,3,4-trifluorophenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 121350278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).