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

C23H24N2O5S2 — CID 54045387

IUPAC3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one
SMILESCC(COc1ccc(Cc2sc(=O)[nH]c2O)cc1)N1CC(CSc2ccccc2)OC1=O
InChIInChI=1S/C23H24N2O5S2/c1-15(25-12-18(30-23(25)28)14-31-19-5-3-2-4-6-19)13-29-17-9-7-16(8-10-17)11-20-21(26)24-22(27)32-20/h2-10,15,18,26H,11-14H2,1H3,(H,24,27)
InChIKeyLPESHHOUBCFHNC-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.11
Rot. Bonds9

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

3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one (PubChem CID 54045387) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one
PubChem CID54045387
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Name3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one
SMILESCC(COc1ccc(Cc2sc(=O)[nH]c2O)cc1)N1CC(CSc2ccccc2)OC1=O
InChIInChI=1S/C23H24N2O5S2/c1-15(25-12-18(30-23(25)28)14-31-19-5-3-2-4-6-19)13-29-17-9-7-16(8-10-17)11-20-21(26)24-22(27)32-20/h2-10,15,18,26H,11-14H2,1H3,(H,24,27)
InChIKeyLPESHHOUBCFHNC-UHFFFAOYSA-N
XLogP4.11
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-5-[[4-[(2S)-2-hydroxy-2-phenylethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 123370768
3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one
CID 54052008
4-hydroxy-5-[[4-(2-phenylethyl)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934054
[(1S)-1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] acetate
CID 123652058
5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91934015
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
5-[(4-hexoxyphenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54287264
[1-(5-ethyl-2-pyridinyl)-2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl] formate
CID 54567968
5-[[4-[2-(2,3-dihydroindol-1-yl)ethoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54418802
5-[[4-[2-[1,3-benzoxazol-2-yl(propan-2-yl)amino]ethoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54223202
4-hydroxy-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90835967
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-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one (CID 54045387) is 3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one is CC(COc1ccc(Cc2sc(=O)[nH]c2O)cc1)N1CC(CSc2ccccc2)OC1=O.
What is the InChIKey of 3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is LPESHHOUBCFHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-15(25-12-18(30-23(25)28)14-31-19-5-3-2-4-6-19)13-29-17-9-7-16(8-10-17)11-20-21(26)24-22(27)32-20/h2-10,15,18,26H,11-14H2,1H3,(H,24,27).
What are the key properties of 3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one?
3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 472.59 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 54045387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).