2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid

C23H23NO6 — CID 11304395

IUPAC2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid
SMILESCOCc1cccc(-c2cc(COc3ccc(OCC(=O)O)c4c3CCC4)no2)c1
InChIInChI=1S/C23H23NO6/c1-27-12-15-4-2-5-16(10-15)22-11-17(24-30-22)13-28-20-8-9-21(29-14-23(25)26)19-7-3-6-18(19)20/h2,4-5,8-11H,3,6-7,12-14H2,1H3,(H,25,26)
InChIKeyVOCGOAHWVOILQZ-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.02
Rot. Bonds9

About 2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid

2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid (PubChem CID 11304395) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid
PubChem CID11304395
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid
SMILESCOCc1cccc(-c2cc(COc3ccc(OCC(=O)O)c4c3CCC4)no2)c1
InChIInChI=1S/C23H23NO6/c1-27-12-15-4-2-5-16(10-15)22-11-17(24-30-22)13-28-20-8-9-21(29-14-23(25)26)19-7-3-6-18(19)20/h2,4-5,8-11H,3,6-7,12-14H2,1H3,(H,25,26)
InChIKeyVOCGOAHWVOILQZ-UHFFFAOYSA-N
XLogP4.02
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid?
The IUPAC name of 2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid (CID 11304395) is 2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid?
The canonical SMILES for 2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid is COCc1cccc(-c2cc(COc3ccc(OCC(=O)O)c4c3CCC4)no2)c1.
What is the InChIKey of 2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid?
The InChIKey is VOCGOAHWVOILQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-27-12-15-4-2-5-16(10-15)22-11-17(24-30-22)13-28-20-8-9-21(29-14-23(25)26)19-7-3-6-18(19)20/h2,4-5,8-11H,3,6-7,12-14H2,1H3,(H,25,26).
What are the key properties of 2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid?
2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid has a molecular weight of 409.44 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[[5-[3-(methoxymethyl)phenyl]-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid is sourced from PubChem (CID 11304395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).