3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid

C6H8N2O3S — CID 9484221

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
SMILESCc1nnc(SCCC(=O)O)o1
InChIInChI=1S/C6H8N2O3S/c1-4-7-8-6(11-4)12-3-2-5(9)10/h2-3H2,1H3,(H,9,10)
InChIKeyRVWZAZSRROGXJJ-UHFFFAOYSA-N
MW188.21 g/mol
LogP0.94
Rot. Bonds4

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

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid (PubChem CID 9484221) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
PubChem CID9484221
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
SMILESCc1nnc(SCCC(=O)O)o1
InChIInChI=1S/C6H8N2O3S/c1-4-7-8-6(11-4)12-3-2-5(9)10/h2-3H2,1H3,(H,9,10)
InChIKeyRVWZAZSRROGXJJ-UHFFFAOYSA-N
XLogP0.94
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid (CID 9484221) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid is Cc1nnc(SCCC(=O)O)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid?
The InChIKey is RVWZAZSRROGXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-4-7-8-6(11-4)12-3-2-5(9)10/h2-3H2,1H3,(H,9,10).
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid has a molecular weight of 188.21 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 9484221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).