4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid

C11H16N2O4S — CID 82906606

IUPAC4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid
SMILESCOCc1cc(CN2CCSCC2C(=O)O)no1
InChIInChI=1S/C11H16N2O4S/c1-16-6-9-4-8(12-17-9)5-13-2-3-18-7-10(13)11(14)15/h4,10H,2-3,5-7H2,1H3,(H,14,15)
InChIKeyUKDKFEKKLLWFAW-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.82
Rot. Bonds5

About 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid

4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid (PubChem CID 82906606) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid
PubChem CID82906606
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid
SMILESCOCc1cc(CN2CCSCC2C(=O)O)no1
InChIInChI=1S/C11H16N2O4S/c1-16-6-9-4-8(12-17-9)5-13-2-3-18-7-10(13)11(14)15/h4,10H,2-3,5-7H2,1H3,(H,14,15)
InChIKeyUKDKFEKKLLWFAW-UHFFFAOYSA-N
XLogP0.82
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid
CID 82906602
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 66189756
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid
CID 66191336
4-[(5-methylfuran-2-yl)methyl]thiomorpholine-3-carboxylic acid
CID 82906613
4-[(3-methoxyphenyl)methyl]thiomorpholine-3-carboxylic acid
CID 82906012
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one
CID 79535895
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 66189969
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]acetic acid
CID 66189555
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 66188954
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine
CID 66189164
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]propanoic acid
CID 66189160
4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid
CID 82909368

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid (CID 82906606) is 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid is COCc1cc(CN2CCSCC2C(=O)O)no1.
What is the InChIKey of 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid?
The InChIKey is UKDKFEKKLLWFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-16-6-9-4-8(12-17-9)5-13-2-3-18-7-10(13)11(14)15/h4,10H,2-3,5-7H2,1H3,(H,14,15).
What are the key properties of 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid?
4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82906606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).