3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

C21H19ClN4O2 — CID 157239983

IUPAC3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
SMILESClc1cc2c(c(-c3ncnc4c3CCC4)c1)OC(c1onc3c1CNCC3)C2
InChIInChI=1S/C21H19ClN4O2/c22-12-6-11-7-18(21-15-9-23-5-4-17(15)26-28-21)27-20(11)14(8-12)19-13-2-1-3-16(13)24-10-25-19/h6,8,10,18,23H,1-5,7,9H2
InChIKeyLJQJYTNUZASMIY-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.60
Rot. Bonds2

About 3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 157239983) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
PubChem CID157239983
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
SMILESClc1cc2c(c(-c3ncnc4c3CCC4)c1)OC(c1onc3c1CNCC3)C2
InChIInChI=1S/C21H19ClN4O2/c22-12-6-11-7-18(21-15-9-23-5-4-17(15)26-28-21)27-20(11)14(8-12)19-13-2-1-3-16(13)24-10-25-19/h6,8,10,18,23H,1-5,7,9H2
InChIKeyLJQJYTNUZASMIY-UHFFFAOYSA-N
XLogP3.60
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (CID 157239983) is 3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is Clc1cc2c(c(-c3ncnc4c3CCC4)c1)OC(c1onc3c1CNCC3)C2.
What is the InChIKey of 3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is LJQJYTNUZASMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-12-6-11-7-18(21-15-9-23-5-4-17(15)26-28-21)27-20(11)14(8-12)19-13-2-1-3-16(13)24-10-25-19/h6,8,10,18,23H,1-5,7,9H2.
What are the key properties of 3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 394.86 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 157239983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).