3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

C23H17ClF3N3O2S — CID 162237657

IUPAC3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESFC(F)(F)CN1CCc2noc([C@H]3Cc4cc(Cl)cc(-c5ccnc6ccsc56)c4O3)c2C1
InChIInChI=1S/C23H17ClF3N3O2S/c24-13-7-12-8-19(21-16-10-30(11-23(25,26)27)5-2-17(16)29-32-21)31-20(12)15(9-13)14-1-4-28-18-3-6-33-22(14)18/h1,3-4,6-7,9,19H,2,5,8,10-11H2/t19-/m1/s1
InChIKeyZWGYBFRUIWNWPU-LJQANCHMSA-N
MW491.92 g/mol
LogP6.20
Rot. Bonds3

About 3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 162237657) has the molecular formula C23H17ClF3N3O2S and a molecular weight of 491.92 g/mol. Its IUPAC name is 3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
PubChem CID162237657
Molecular FormulaC23H17ClF3N3O2S
Molecular Weight491.92 g/mol
Exact Mass491.07
IUPAC Name3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESFC(F)(F)CN1CCc2noc([C@H]3Cc4cc(Cl)cc(-c5ccnc6ccsc56)c4O3)c2C1
InChIInChI=1S/C23H17ClF3N3O2S/c24-13-7-12-8-19(21-16-10-30(11-23(25,26)27)5-2-17(16)29-32-21)31-20(12)15(9-13)14-1-4-28-18-3-6-33-22(14)18/h1,3-4,6-7,9,19H,2,5,8,10-11H2/t19-/m1/s1
InChIKeyZWGYBFRUIWNWPU-LJQANCHMSA-N
XLogP6.20
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.92
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (CID 162237657) is 3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is FC(F)(F)CN1CCc2noc([C@H]3Cc4cc(Cl)cc(-c5ccnc6ccsc56)c4O3)c2C1.
What is the InChIKey of 3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is ZWGYBFRUIWNWPU-LJQANCHMSA-N. The full InChI is InChI=1S/C23H17ClF3N3O2S/c24-13-7-12-8-19(21-16-10-30(11-23(25,26)27)5-2-17(16)29-32-21)31-20(12)15(9-13)14-1-4-28-18-3-6-33-22(14)18/h1,3-4,6-7,9,19H,2,5,8,10-11H2/t19-/m1/s1.
What are the key properties of 3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 491.92 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 162237657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).