4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine

C22H19ClN4O3 — CID 157095899

IUPAC4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine
SMILESCCN1CCc2noc([C@H]3Cc4cc(Cl)cc(-c5ncnc6ccoc56)c4O3)c2C1
InChIInChI=1S/C22H19ClN4O3/c1-2-27-5-3-16-15(10-27)21(30-26-16)18-8-12-7-13(23)9-14(20(12)29-18)19-22-17(4-6-28-22)24-11-25-19/h4,6-7,9,11,18H,2-3,5,8,10H2,1H3/t18-/m1/s1
InChIKeyAFEZAALQDQHZNF-GOSISDBHSA-N
MW422.87 g/mol
LogP4.59
Rot. Bonds3

About 4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine

4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine (PubChem CID 157095899) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine
PubChem CID157095899
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine
SMILESCCN1CCc2noc([C@H]3Cc4cc(Cl)cc(-c5ncnc6ccoc56)c4O3)c2C1
InChIInChI=1S/C22H19ClN4O3/c1-2-27-5-3-16-15(10-27)21(30-26-16)18-8-12-7-13(23)9-14(20(12)29-18)19-22-17(4-6-28-22)24-11-25-19/h4,6-7,9,11,18H,2-3,5,8,10H2,1H3/t18-/m1/s1
InChIKeyAFEZAALQDQHZNF-GOSISDBHSA-N
XLogP4.59
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine?
The IUPAC name of 4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine (CID 157095899) is 4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine?
The canonical SMILES for 4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine is CCN1CCc2noc([C@H]3Cc4cc(Cl)cc(-c5ncnc6ccoc56)c4O3)c2C1.
What is the InChIKey of 4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine?
The InChIKey is AFEZAALQDQHZNF-GOSISDBHSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-2-27-5-3-16-15(10-27)21(30-26-16)18-8-12-7-13(23)9-14(20(12)29-18)19-22-17(4-6-28-22)24-11-25-19/h4,6-7,9,11,18H,2-3,5,8,10H2,1H3/t18-/m1/s1.
What are the key properties of 4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine?
4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine has a molecular weight of 422.87 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine is sourced from PubChem (CID 157095899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).