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]methyl]pyrrolidine-2,5-dione

C25H20ClN5O5 — CID 158657817

IUPAC1-[[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]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1cc2ncnc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2o1
InChIInChI=1S/C25H20ClN5O5/c26-13-5-12-6-19(24-16-9-27-4-3-17(16)30-36-24)35-23(12)15(7-13)22-25-18(28-11-29-22)8-14(34-25)10-31-20(32)1-2-21(31)33/h5,7-8,11,19,27H,1-4,6,9-10H2
InChIKeyYGTJHODKGRPUFY-UHFFFAOYSA-N
MW505.92 g/mol
LogP3.50
Rot. Bonds4

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]methyl]pyrrolidine-2,5-dione

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]methyl]pyrrolidine-2,5-dione (PubChem CID 158657817) has the molecular formula C25H20ClN5O5 and a molecular weight of 505.92 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]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[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]methyl]pyrrolidine-2,5-dione
PubChem CID158657817
Molecular FormulaC25H20ClN5O5
Molecular Weight505.92 g/mol
Exact Mass505.12
IUPAC Name1-[[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]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1cc2ncnc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2o1
InChIInChI=1S/C25H20ClN5O5/c26-13-5-12-6-19(24-16-9-27-4-3-17(16)30-36-24)35-23(12)15(7-13)22-25-18(28-11-29-22)8-14(34-25)10-31-20(32)1-2-21(31)33/h5,7-8,11,19,27H,1-4,6,9-10H2
InChIKeyYGTJHODKGRPUFY-UHFFFAOYSA-N
XLogP3.50
TPSA123.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.92
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 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]methyl]pyrrolidine-2,5-dione with MolForge

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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]methyl]pyrrolidine-2,5-dione?
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]methyl]pyrrolidine-2,5-dione (CID 158657817) 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]methyl]pyrrolidine-2,5-dione.
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]methyl]pyrrolidine-2,5-dione?
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]methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1cc2ncnc(-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]methyl]pyrrolidine-2,5-dione?
The InChIKey is YGTJHODKGRPUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O5/c26-13-5-12-6-19(24-16-9-27-4-3-17(16)30-36-24)35-23(12)15(7-13)22-25-18(28-11-29-22)8-14(34-25)10-31-20(32)1-2-21(31)33/h5,7-8,11,19,27H,1-4,6,9-10H2.
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]methyl]pyrrolidine-2,5-dione?
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]methyl]pyrrolidine-2,5-dione has a molecular weight of 505.92 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 9 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]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 158657817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).