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

C6H8N2O4S — CID 61278776

IUPAC2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESCOCc1nnc(SCC(=O)O)o1
InChIInChI=1S/C6H8N2O4S/c1-11-2-4-7-8-6(12-4)13-3-5(9)10/h2-3H2,1H3,(H,9,10)
InChIKeySVJGXHIDUITADI-UHFFFAOYSA-N
MW204.21 g/mol
LogP0.39
Rot. Bonds5

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

2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 61278776) has the molecular formula C6H8N2O4S and a molecular weight of 204.21 g/mol. Its IUPAC name is 2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
PubChem CID61278776
Molecular FormulaC6H8N2O4S
Molecular Weight204.21 g/mol
Exact Mass204.02
IUPAC Name2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESCOCc1nnc(SCC(=O)O)o1
InChIInChI=1S/C6H8N2O4S/c1-11-2-4-7-8-6(12-4)13-3-5(9)10/h2-3H2,1H3,(H,9,10)
InChIKeySVJGXHIDUITADI-UHFFFAOYSA-N
XLogP0.39
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (CID 61278776) is 2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is COCc1nnc(SCC(=O)O)o1.
What is the InChIKey of 2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is SVJGXHIDUITADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S/c1-11-2-4-7-8-6(12-4)13-3-5(9)10/h2-3H2,1H3,(H,9,10).
What are the key properties of 2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 204.21 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 61278776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).