4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile

C28H21N3O6S — CID 123426083

IUPAC4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile
SMILESN#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cc1N1CCOC1=O
InChIInChI=1S/C28H21N3O6S/c29-16-18-6-9-20(14-23(18)31-12-13-35-28(31)33)37-24-3-1-2-21-22(24)10-11-25(21)36-19-7-4-17(5-8-19)26-15-27(32)30-38(26)34/h1-9,14-15,25H,10-13H2,(H,30,32)/t25-,38?/m1/s1
InChIKeyBMLLARUTCDOSKI-PNRFPLAFSA-N
MW527.56 g/mol
LogP4.51
Rot. Bonds6

About 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile

4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile (PubChem CID 123426083) has the molecular formula C28H21N3O6S and a molecular weight of 527.56 g/mol. Its IUPAC name is 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile.

Molecular Properties

Compound Name4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile
PubChem CID123426083
Molecular FormulaC28H21N3O6S
Molecular Weight527.56 g/mol
Exact Mass527.12
IUPAC Name4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile
SMILESN#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cc1N1CCOC1=O
InChIInChI=1S/C28H21N3O6S/c29-16-18-6-9-20(14-23(18)31-12-13-35-28(31)33)37-24-3-1-2-21-22(24)10-11-25(21)36-19-7-4-17(5-8-19)26-15-27(32)30-38(26)34/h1-9,14-15,25H,10-13H2,(H,30,32)/t25-,38?/m1/s1
InChIKeyBMLLARUTCDOSKI-PNRFPLAFSA-N
XLogP4.51
TPSA117.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile?
The IUPAC name of 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile (CID 123426083) is 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile.
What is the SMILES notation for 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile?
The canonical SMILES for 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile is N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cc1N1CCOC1=O.
What is the InChIKey of 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile?
The InChIKey is BMLLARUTCDOSKI-PNRFPLAFSA-N. The full InChI is InChI=1S/C28H21N3O6S/c29-16-18-6-9-20(14-23(18)31-12-13-35-28(31)33)37-24-3-1-2-21-22(24)10-11-25(21)36-19-7-4-17(5-8-19)26-15-27(32)30-38(26)34/h1-9,14-15,25H,10-13H2,(H,30,32)/t25-,38?/m1/s1.
What are the key properties of 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile?
4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile has a molecular weight of 527.56 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile is sourced from PubChem (CID 123426083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).