4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

C21H19ClN4O3 — CID 166789323

About 4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol (PubChem CID 166789323) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol.

Molecular Properties

• Compound Name: 4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
• PubChem CID: 166789323
• Molecular Formula: C21H19ClN4O3
• Molecular Weight: 410.86 g/mol
• Exact Mass: 410.11
• IUPAC Name: 4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
• SMILES: OC1CCc2c(-c3cc(Cl)cc4c3O[C@@H](c3onc5c3CNCC5)C4)ncnc21
• InChI: InChI=1S/C21H19ClN4O3/c22-11-5-10-6-17(21-14-8-23-4-3-15(14)26-29-21)28-20(10)13(7-11)18-12-1-2-16(27)19(12)25-9-24-18/h5,7,9,16-17,23,27H,1-4,6,8H2/t16?,17-/m1/s1
• InChIKey: YJRWLRDSZHFQJF-ZYMOGRSISA-N
• XLogP: 3.09
• TPSA: 93.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.86
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?

The IUPAC name of 4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol (CID 166789323) is 4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol.

What is the SMILES notation for 4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?

The canonical SMILES for 4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol is OC1CCc2c(-c3cc(Cl)cc4c3O[C@@H](c3onc5c3CNCC5)C4)ncnc21.

What is the InChIKey of 4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?

The InChIKey is YJRWLRDSZHFQJF-ZYMOGRSISA-N. The full InChI is InChI=1S/C21H19ClN4O3/c22-11-5-10-6-17(21-14-8-23-4-3-15(14)26-29-21)28-20(10)13(7-11)18-12-1-2-16(27)19(12)25-9-24-18/h5,7,9,16-17,23,27H,1-4,6,8H2/t16?,17-/m1/s1.

What are the key properties of 4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?

4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol has a molecular weight of 410.86 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol is sourced from PubChem (CID 166789323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).