4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid

C12H11NO5S — CID 43352407

IUPAC4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid
SMILESO=C(O)c1ccc(SCC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C12H11NO5S/c14-10(13-5-6-18-12(13)17)7-19-9-3-1-8(2-4-9)11(15)16/h1-4H,5-7H2,(H,15,16)
InChIKeyUKWWHNNKMIRURL-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.46
Rot. Bonds4

About 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid

4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid (PubChem CID 43352407) has the molecular formula C12H11NO5S and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid.

Molecular Properties

Compound Name4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid
PubChem CID43352407
Molecular FormulaC12H11NO5S
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC Name4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid
SMILESO=C(O)c1ccc(SCC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C12H11NO5S/c14-10(13-5-6-18-12(13)17)7-19-9-3-1-8(2-4-9)11(15)16/h1-4H,5-7H2,(H,15,16)
InChIKeyUKWWHNNKMIRURL-UHFFFAOYSA-N
XLogP1.46
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid
CID 79554540
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid
CID 79149423
4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoic acid
CID 16791377
4-[2-(azocan-1-yl)-2-oxoethyl]sulfanylbenzoic acid
CID 43242305
3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
CID 115945174
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one
CID 8881349
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-phenylbenzoate
CID 8650065
(2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid
CID 107773641
3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
CID 66150041
4-[4-(4-carboxyphenyl)sulfanylbutylsulfanyl]benzoic acid
CID 101056117
4-(2-methylpropylsulfanyl)benzoic acid
CID 16793794

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid?
The IUPAC name of 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid (CID 43352407) is 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid.
What is the SMILES notation for 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid?
The canonical SMILES for 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid is O=C(O)c1ccc(SCC(=O)N2CCOC2=O)cc1.
What is the InChIKey of 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid?
The InChIKey is UKWWHNNKMIRURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S/c14-10(13-5-6-18-12(13)17)7-19-9-3-1-8(2-4-9)11(15)16/h1-4H,5-7H2,(H,15,16).
What are the key properties of 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid?
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid has a molecular weight of 281.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid is sourced from PubChem (CID 43352407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).