3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol

C24H20ClN3O4S — CID 161331973

IUPAC3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol
SMILESOC1(c2cc3nccc(-c4cc(Cl)cc5c4O[C@@H](c4onc6c4CNCC6)C5)c3s2)COC1
InChIInChI=1S/C24H20ClN3O4S/c25-13-5-12-6-19(22-16-9-26-3-2-17(16)28-32-22)31-21(12)15(7-13)14-1-4-27-18-8-20(33-23(14)18)24(29)10-30-11-24/h1,4-5,7-8,19,26,29H,2-3,6,9-11H2/t19-/m1/s1
InChIKeyVLNOEPLSLCIBKI-LJQANCHMSA-N
MW481.96 g/mol
LogP4.14
Rot. Bonds3

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

3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol (PubChem CID 161331973) has the molecular formula C24H20ClN3O4S and a molecular weight of 481.96 g/mol. Its IUPAC name is 3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol.

Molecular Properties

Compound Name3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol
PubChem CID161331973
Molecular FormulaC24H20ClN3O4S
Molecular Weight481.96 g/mol
Exact Mass481.09
IUPAC Name3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol
SMILESOC1(c2cc3nccc(-c4cc(Cl)cc5c4O[C@@H](c4onc6c4CNCC6)C5)c3s2)COC1
InChIInChI=1S/C24H20ClN3O4S/c25-13-5-12-6-19(22-16-9-26-3-2-17(16)28-32-22)31-21(12)15(7-13)14-1-4-27-18-8-20(33-23(14)18)24(29)10-30-11-24/h1,4-5,7-8,19,26,29H,2-3,6,9-11H2/t19-/m1/s1
InChIKeyVLNOEPLSLCIBKI-LJQANCHMSA-N
XLogP4.14
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol?
The IUPAC name of 3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol (CID 161331973) is 3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol.
What is the SMILES notation for 3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol?
The canonical SMILES for 3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol is OC1(c2cc3nccc(-c4cc(Cl)cc5c4O[C@@H](c4onc6c4CNCC6)C5)c3s2)COC1.
What is the InChIKey of 3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol?
The InChIKey is VLNOEPLSLCIBKI-LJQANCHMSA-N. The full InChI is InChI=1S/C24H20ClN3O4S/c25-13-5-12-6-19(22-16-9-26-3-2-17(16)28-32-22)31-21(12)15(7-13)14-1-4-27-18-8-20(33-23(14)18)24(29)10-30-11-24/h1,4-5,7-8,19,26,29H,2-3,6,9-11H2/t19-/m1/s1.
What are the key properties of 3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol?
3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol has a molecular weight of 481.96 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol is sourced from PubChem (CID 161331973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).