10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]

C25H17ClN2O4 — CID 25224786

IUPAC10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]
SMILESClc1ncc(CN2c3ccccc3C3(COc4cc5c(cc43)OCO5)c3ccccc32)o1
InChIInChI=1S/C25H17ClN2O4/c26-24-27-11-15(32-24)12-28-19-7-3-1-5-16(19)25(17-6-2-4-8-20(17)28)13-29-21-10-23-22(9-18(21)25)30-14-31-23/h1-11H,12-14H2
InChIKeyGKQZPNRQWCGTKA-UHFFFAOYSA-N
MW444.87 g/mol
LogP5.44
Rot. Bonds2

About 10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]

10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine] (PubChem CID 25224786) has the molecular formula C25H17ClN2O4 and a molecular weight of 444.87 g/mol. Its IUPAC name is 10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine].

Molecular Properties

Compound Name10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]
PubChem CID25224786
Molecular FormulaC25H17ClN2O4
Molecular Weight444.87 g/mol
Exact Mass444.09
IUPAC Name10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]
SMILESClc1ncc(CN2c3ccccc3C3(COc4cc5c(cc43)OCO5)c3ccccc32)o1
InChIInChI=1S/C25H17ClN2O4/c26-24-27-11-15(32-24)12-28-19-7-3-1-5-16(19)25(17-6-2-4-8-20(17)28)13-29-21-10-23-22(9-18(21)25)30-14-31-23/h1-11H,12-14H2
InChIKeyGKQZPNRQWCGTKA-UHFFFAOYSA-N
XLogP5.44
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.87
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]?
The IUPAC name of 10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine] (CID 25224786) is 10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine].
What is the SMILES notation for 10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]?
The canonical SMILES for 10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine] is Clc1ncc(CN2c3ccccc3C3(COc4cc5c(cc43)OCO5)c3ccccc32)o1.
What is the InChIKey of 10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]?
The InChIKey is GKQZPNRQWCGTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O4/c26-24-27-11-15(32-24)12-28-19-7-3-1-5-16(19)25(17-6-2-4-8-20(17)28)13-29-21-10-23-22(9-18(21)25)30-14-31-23/h1-11H,12-14H2.
What are the key properties of 10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]?
10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine] has a molecular weight of 444.87 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-[(2-chloro-1,3-oxazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine] is sourced from PubChem (CID 25224786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).