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

C25H23ClN2O3S — CID 158769667

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

(1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol (PubChem CID 158769667) has the molecular formula C25H23ClN2O3S and a molecular weight of 466.99 g/mol. Its IUPAC name is (1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol.

Molecular Properties

• Compound Name: (1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
• PubChem CID: 158769667
• Molecular Formula: C25H23ClN2O3S
• Molecular Weight: 466.99 g/mol
• Exact Mass: 466.11
• IUPAC Name: (1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
• SMILES: CC[C@@H](O)c1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](c3onc5c3CCCC5)C4)c2s1
• InChI: InChI=1S/C25H23ClN2O3S/c1-2-20(29)22-12-19-25(32-22)15(7-8-27-19)17-11-14(26)9-13-10-21(30-23(13)17)24-16-5-3-4-6-18(16)28-31-24/h7-9,11-12,20-21,29H,2-6,10H2,1H3/t20-,21-/m1/s1
• InChIKey: IPRZKAXUTBRFLF-NHCUHLMSSA-N
• XLogP: 6.60
• TPSA: 68.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.99
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol?

The IUPAC name of (1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol (CID 158769667) is (1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol.

What is the SMILES notation for (1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol?

The canonical SMILES for (1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol is CC[C@@H](O)c1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](c3onc5c3CCCC5)C4)c2s1.

What is the InChIKey of (1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol?

The InChIKey is IPRZKAXUTBRFLF-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H23ClN2O3S/c1-2-20(29)22-12-19-25(32-22)15(7-8-27-19)17-11-14(26)9-13-10-21(30-23(13)17)24-16-5-3-4-6-18(16)28-31-24/h7-9,11-12,20-21,29H,2-6,10H2,1H3/t20-,21-/m1/s1.

What are the key properties of (1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol?

(1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol has a molecular weight of 466.99 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol is sourced from PubChem (CID 158769667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).