2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid

C7H10N2O4S — CID 29065660

IUPAC2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESCCOCc1nnc(SCC(=O)O)o1
InChIInChI=1S/C7H10N2O4S/c1-2-12-3-5-8-9-7(13-5)14-4-6(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyVGOFLEMAVHYIHZ-UHFFFAOYSA-N
MW218.23 g/mol
LogP0.78
Rot. Bonds6

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

2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 29065660) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
PubChem CID29065660
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESCCOCc1nnc(SCC(=O)O)o1
InChIInChI=1S/C7H10N2O4S/c1-2-12-3-5-8-9-7(13-5)14-4-6(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyVGOFLEMAVHYIHZ-UHFFFAOYSA-N
XLogP0.78
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (CID 29065660) is 2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is CCOCc1nnc(SCC(=O)O)o1.
What is the InChIKey of 2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is VGOFLEMAVHYIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S/c1-2-12-3-5-8-9-7(13-5)14-4-6(10)11/h2-4H2,1H3,(H,10,11).
What are the key properties of 2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 218.23 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 29065660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).