1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol

C23H21ClN4O4 — CID 158184325

About 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol

1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol (PubChem CID 158184325) has the molecular formula C23H21ClN4O4 and a molecular weight of 452.90 g/mol. Its IUPAC name is 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol.

Molecular Properties

• Compound Name: 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol
• PubChem CID: 158184325
• Molecular Formula: C23H21ClN4O4
• Molecular Weight: 452.90 g/mol
• Exact Mass: 452.13
• IUPAC Name: 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol
• SMILES: CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2o1
• InChI: InChI=1S/C23H21ClN4O4/c1-2-17(29)18-8-16-23(30-18)20(27-10-26-16)13-7-12(24)5-11-6-19(31-21(11)13)22-14-9-25-4-3-15(14)28-32-22/h5,7-8,10,17,19,25,29H,2-4,6,9H2,1H3
• InChIKey: WBCKZNMOORAXOT-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 106.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.90
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol?

The IUPAC name of 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol (CID 158184325) is 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol.

What is the SMILES notation for 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol?

The canonical SMILES for 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol is CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2o1.

What is the InChIKey of 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol?

The InChIKey is WBCKZNMOORAXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4/c1-2-17(29)18-8-16-23(30-18)20(27-10-26-16)13-7-12(24)5-11-6-19(31-21(11)13)22-14-9-25-4-3-15(14)28-32-22/h5,7-8,10,17,19,25,29H,2-4,6,9H2,1H3.

What are the key properties of 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol?

1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol has a molecular weight of 452.90 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol is sourced from PubChem (CID 158184325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).