3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid

C9H12N2O5S — CID 107369983

IUPAC3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(CNC(=O)c1cc(C(=O)O)on1)S(C)=O
InChIInChI=1S/C9H12N2O5S/c1-5(17(2)15)4-10-8(12)6-3-7(9(13)14)16-11-6/h3,5H,4H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyOCGBTZDTJFEZME-UHFFFAOYSA-N
MW260.27 g/mol
LogP-0.13
Rot. Bonds5

About 3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid

3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107369983) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107369983
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC Name3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(CNC(=O)c1cc(C(=O)O)on1)S(C)=O
InChIInChI=1S/C9H12N2O5S/c1-5(17(2)15)4-10-8(12)6-3-7(9(13)14)16-11-6/h3,5H,4H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyOCGBTZDTJFEZME-UHFFFAOYSA-N
XLogP-0.13
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369748
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369494
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369491
3-(3-methylsulfanylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369677
6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115869324
3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369935
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
3-(4-methylhexan-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369739

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid (CID 107369983) is 3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid is CC(CNC(=O)c1cc(C(=O)O)on1)S(C)=O.
What is the InChIKey of 3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is OCGBTZDTJFEZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S/c1-5(17(2)15)4-10-8(12)6-3-7(9(13)14)16-11-6/h3,5H,4H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).