3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one

C22H22N2O5S — CID 91069847

IUPAC3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1
InChIInChI=1S/C22H22N2O5S/c1-2-24-16(13-28-22(24)27)11-14-3-7-17(8-4-14)29-18-9-5-15(6-10-18)12-19-20(25)23-21(26)30-19/h3-10,16,25H,2,11-13H2,1H3,(H,23,26)
InChIKeyMAAVGNCYOCZKIL-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.91
Rot. Bonds7

About 3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one

3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 91069847) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID91069847
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1
InChIInChI=1S/C22H22N2O5S/c1-2-24-16(13-28-22(24)27)11-14-3-7-17(8-4-14)29-18-9-5-15(6-10-18)12-19-20(25)23-21(26)30-19/h3-10,16,25H,2,11-13H2,1H3,(H,23,26)
InChIKeyMAAVGNCYOCZKIL-UHFFFAOYSA-N
XLogP3.91
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-4-[[4-[4-[(3-ethylperoxy-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
CID 89005127
4-[[4-[3-fluoro-4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 90689132
4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934058
4-hydroxy-5-[[4-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]methyl]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90913449
2-[5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 91312986
4-[[4-[3-chloro-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]phenyl]methyl]-3-ethyl-1,3-oxazolidin-2-one
CID 59608636
5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91144260
(5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 12002269
2-[5-[2-[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-3-methoxyphenyl]ethyl]-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 91473722
5-[(4-hexoxyphenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54287264
3-ethyl-4-[[4-[2-fluoro-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
CID 73175113
4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one
CID 91934024

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one (CID 91069847) is 3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one is CCN1C(=O)OCC1Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1.
What is the InChIKey of 3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is MAAVGNCYOCZKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-2-24-16(13-28-22(24)27)11-14-3-7-17(8-4-14)29-18-9-5-15(6-10-18)12-19-20(25)23-21(26)30-19/h3-10,16,25H,2,11-13H2,1H3,(H,23,26).
What are the key properties of 3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one?
3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 426.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 91069847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).