[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]furo[3,2-d]pyrimidin-6-yl]methanol

C21H17ClN4O4 — CID 162469850

IUPAC[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]furo[3,2-d]pyrimidin-6-yl]methanol
SMILESOCc1cc2ncnc(-c3cc(Cl)cc4c3O[C@@H](c3onc5c3CNCC5)C4)c2o1
InChIInChI=1S/C21H17ClN4O4/c22-11-3-10-4-17(20-14-7-23-2-1-15(14)26-30-20)29-19(10)13(5-11)18-21-16(24-9-25-18)6-12(8-27)28-21/h3,5-6,9,17,23,27H,1-2,4,7-8H2/t17-/m1/s1
InChIKeyIXPWSAIRNZCRAK-QGZVFWFLSA-N
MW424.84 g/mol
LogP3.35
Rot. Bonds3

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]furo[3,2-d]pyrimidin-6-yl]methanol

[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]furo[3,2-d]pyrimidin-6-yl]methanol (PubChem CID 162469850) has the molecular formula C21H17ClN4O4 and a molecular weight of 424.84 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]furo[3,2-d]pyrimidin-6-yl]methanol.

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]furo[3,2-d]pyrimidin-6-yl]methanol
PubChem CID162469850
Molecular FormulaC21H17ClN4O4
Molecular Weight424.84 g/mol
Exact Mass424.09
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]furo[3,2-d]pyrimidin-6-yl]methanol
SMILESOCc1cc2ncnc(-c3cc(Cl)cc4c3O[C@@H](c3onc5c3CNCC5)C4)c2o1
InChIInChI=1S/C21H17ClN4O4/c22-11-3-10-4-17(20-14-7-23-2-1-15(14)26-30-20)29-19(10)13(5-11)18-21-16(24-9-25-18)6-12(8-27)28-21/h3,5-6,9,17,23,27H,1-2,4,7-8H2/t17-/m1/s1
InChIKeyIXPWSAIRNZCRAK-QGZVFWFLSA-N
XLogP3.35
TPSA106.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [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]furo[3,2-d]pyrimidin-6-yl]methanol with MolForge

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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]furo[3,2-d]pyrimidin-6-yl]methanol?
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]furo[3,2-d]pyrimidin-6-yl]methanol (CID 162469850) 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]furo[3,2-d]pyrimidin-6-yl]methanol.
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]furo[3,2-d]pyrimidin-6-yl]methanol?
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]furo[3,2-d]pyrimidin-6-yl]methanol is OCc1cc2ncnc(-c3cc(Cl)cc4c3O[C@@H](c3onc5c3CNCC5)C4)c2o1.
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]furo[3,2-d]pyrimidin-6-yl]methanol?
The InChIKey is IXPWSAIRNZCRAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H17ClN4O4/c22-11-3-10-4-17(20-14-7-23-2-1-15(14)26-30-20)29-19(10)13(5-11)18-21-16(24-9-25-18)6-12(8-27)28-21/h3,5-6,9,17,23,27H,1-2,4,7-8H2/t17-/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]furo[3,2-d]pyrimidin-6-yl]methanol?
[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]furo[3,2-d]pyrimidin-6-yl]methanol has a molecular weight of 424.84 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 8 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]furo[3,2-d]pyrimidin-6-yl]methanol is sourced from PubChem (CID 162469850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).