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

C8H6N2O4S — CID 912122

IUPAC2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(-c2ccco2)o1
InChIInChI=1S/C8H6N2O4S/c11-6(12)4-15-8-10-9-7(14-8)5-2-1-3-13-5/h1-3H,4H2,(H,11,12)
InChIKeyWMMOVVYXIVGNHJ-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.51
Rot. Bonds4

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

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 912122) has the molecular formula C8H6N2O4S and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
PubChem CID912122
Molecular FormulaC8H6N2O4S
Molecular Weight226.21 g/mol
Exact Mass226.00
IUPAC Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(-c2ccco2)o1
InChIInChI=1S/C8H6N2O4S/c11-6(12)4-15-8-10-9-7(14-8)5-2-1-3-13-5/h1-3H,4H2,(H,11,12)
InChIKeyWMMOVVYXIVGNHJ-UHFFFAOYSA-N
XLogP1.51
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (CID 912122) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is O=C(O)CSc1nnc(-c2ccco2)o1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is WMMOVVYXIVGNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4S/c11-6(12)4-15-8-10-9-7(14-8)5-2-1-3-13-5/h1-3H,4H2,(H,11,12).
What are the key properties of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 226.21 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 912122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).