2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid

C11H9NO4S — CID 19011138

IUPAC2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid
SMILESO=C(O)CC1OC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C11H9NO4S/c13-9(14)6-8-10(15)12(11(17)16-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)
InChIKeyRYZFETMTFASCKL-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.18
Rot. Bonds3

About 2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid

2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid (PubChem CID 19011138) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid
PubChem CID19011138
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid
SMILESO=C(O)CC1OC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C11H9NO4S/c13-9(14)6-8-10(15)12(11(17)16-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)
InChIKeyRYZFETMTFASCKL-UHFFFAOYSA-N
XLogP1.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-Fluorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 84173645
2-[4-(4-Fluorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 84173646
2-[4-(3-Fluorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 84173647
2-[3-(4-Fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 133637363
2-[3-(2-Fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 133637364
2,3-Diacetyloxy-4-anilino-4-oxobutanoic acid
CID 13953358
5-Methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 21679961
(3S)-4-anilino-3-hydroxy-4-oxobutanoic acid
CID 96019263
4-Anilino-3-hydroxy-4-oxobutanoic acid
CID 14435729
2-(2,4-Dioxo-3-phenyl-1,3-oxazolidin-5-yl)acetic acid
CID 19011133
(2,5-Dioxo-1-phenylpyrrolidin-3-yl) acetate
CID 20462923
methyl (3S)-4-anilino-3-hydroxy-4-oxobutanoate
CID 59316117

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid?
The IUPAC name of 2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid (CID 19011138) is 2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid is O=C(O)CC1OC(=S)N(c2ccccc2)C1=O.
What is the InChIKey of 2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid?
The InChIKey is RYZFETMTFASCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c13-9(14)6-8-10(15)12(11(17)16-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14).
What are the key properties of 2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid?
2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid has a molecular weight of 251.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid is sourced from PubChem (CID 19011138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).