5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one

C23H18N2O5S — CID 123863163

IUPAC5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one
SMILESCOc1ccc(Oc2cccc3c2OCC3Oc2ccc(-c3cc(=O)[nH]s3)cc2)cn1
InChIInChI=1S/C23H18N2O5S/c1-27-22-10-9-16(12-24-22)30-18-4-2-3-17-19(13-28-23(17)18)29-15-7-5-14(6-8-15)20-11-21(26)25-31-20/h2-12,19H,13H2,1H3,(H,25,26)
InChIKeyIGIJCMJGFCFGKM-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.81
Rot. Bonds6

About 5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one

5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one (PubChem CID 123863163) has the molecular formula C23H18N2O5S and a molecular weight of 434.47 g/mol. Its IUPAC name is 5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one
PubChem CID123863163
Molecular FormulaC23H18N2O5S
Molecular Weight434.47 g/mol
Exact Mass434.09
IUPAC Name5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one
SMILESCOc1ccc(Oc2cccc3c2OCC3Oc2ccc(-c3cc(=O)[nH]s3)cc2)cn1
InChIInChI=1S/C23H18N2O5S/c1-27-22-10-9-16(12-24-22)30-18-4-2-3-17-19(13-28-23(17)18)29-15-7-5-14(6-8-15)20-11-21(26)25-31-20/h2-12,19H,13H2,1H3,(H,25,26)
InChIKeyIGIJCMJGFCFGKM-UHFFFAOYSA-N
XLogP4.81
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

5-[4-[[(3S)-7-[(6-amino-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 67121889
5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
CID 123474642
5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 67121919
5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 123567594
6-[[3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile
CID 77389499
5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
CID 67973087
5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one
CID 67121908
2-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 159994968
5-[4-[[(1R)-4-(4-ethenylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
CID 90002987
5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 67121901
5-[4-[[(3S)-7-[[6-[(3S)-3-hydroxybutoxy]-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-isocyano-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(3S)-7-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(5-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(6-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-pyridin-4-yloxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(3S)-7-(1,3-thiazol-5-yloxy)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one
CID 161323304
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one?
The IUPAC name of 5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one (CID 123863163) is 5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one.
What is the SMILES notation for 5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one?
The canonical SMILES for 5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one is COc1ccc(Oc2cccc3c2OCC3Oc2ccc(-c3cc(=O)[nH]s3)cc2)cn1.
What is the InChIKey of 5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one?
The InChIKey is IGIJCMJGFCFGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5S/c1-27-22-10-9-16(12-24-22)30-18-4-2-3-17-19(13-28-23(17)18)29-15-7-5-14(6-8-15)20-11-21(26)25-31-20/h2-12,19H,13H2,1H3,(H,25,26).
What are the key properties of 5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one?
5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one has a molecular weight of 434.47 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazol-3-one is sourced from PubChem (CID 123863163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).