2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid

C8H12N2O4S — CID 104570818

IUPAC2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
SMILESCOC(C)c1noc(CSCC(=O)O)n1
InChIInChI=1S/C8H12N2O4S/c1-5(13-2)8-9-6(14-10-8)3-15-4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyYOPIPBXTWFBFRB-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.09
Rot. Bonds6

About 2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid

2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid (PubChem CID 104570818) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
PubChem CID104570818
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
SMILESCOC(C)c1noc(CSCC(=O)O)n1
InChIInChI=1S/C8H12N2O4S/c1-5(13-2)8-9-6(14-10-8)3-15-4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyYOPIPBXTWFBFRB-UHFFFAOYSA-N
XLogP1.09
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 116632871
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-one
CID 79604309
2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 104570848
1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 95757338
(2S)-2-amino-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 107773392
2-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 103146461
2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
CID 116808513
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 79604897
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79604650
cis-(1S,2R)-2-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132563
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 112682859

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid?
The IUPAC name of 2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid (CID 104570818) is 2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid?
The canonical SMILES for 2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid is COC(C)c1noc(CSCC(=O)O)n1.
What is the InChIKey of 2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid?
The InChIKey is YOPIPBXTWFBFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-5(13-2)8-9-6(14-10-8)3-15-4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid?
2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid has a molecular weight of 232.26 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid is sourced from PubChem (CID 104570818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).