3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid

C11H14N2O4S — CID 107370020

IUPAC3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid
SMILESCC1SCCN(C(=O)c2cc(C(=O)O)on2)C1C
InChIInChI=1S/C11H14N2O4S/c1-6-7(2)18-4-3-13(6)10(14)8-5-9(11(15)16)17-12-8/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyKJSSXFIDLASLQE-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.34
Rot. Bonds2

About 3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid

3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107370020) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107370020
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid
SMILESCC1SCCN(C(=O)c2cc(C(=O)O)on2)C1C
InChIInChI=1S/C11H14N2O4S/c1-6-7(2)18-4-3-13(6)10(14)8-5-9(11(15)16)17-12-8/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyKJSSXFIDLASLQE-UHFFFAOYSA-N
XLogP1.34
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107370025
(2,3-dimethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone
CID 115634504
3-(2-methylazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369689
2-(2,3-dimethylthiomorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697506
[(2S,3R)-2,3-dimethylthiomorpholin-4-yl]-quinolin-2-ylmethanone
CID 95630049
(4-bromo-1H-pyrrol-2-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 115634507
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331727
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107370093
[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-(5-ethylfuran-2-yl)methanone
CID 95630042
3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368970
3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368983
(2,3-dimethylthiomorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107035978

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid (CID 107370020) is 3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid is CC1SCCN(C(=O)c2cc(C(=O)O)on2)C1C.
What is the InChIKey of 3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is KJSSXFIDLASLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-6-7(2)18-4-3-13(6)10(14)8-5-9(11(15)16)17-12-8/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid?
3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylthiomorpholine-4-carbonyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107370020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).