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

C10H10N2O4S — CID 6471976

IUPAC3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
SMILESCc1occc1-c1nnc(SCCC(=O)O)o1
InChIInChI=1S/C10H10N2O4S/c1-6-7(2-4-15-6)9-11-12-10(16-9)17-5-3-8(13)14/h2,4H,3,5H2,1H3,(H,13,14)
InChIKeyDLIMNUFCPLVDQF-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.20
Rot. Bonds5

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

3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid (PubChem CID 6471976) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
PubChem CID6471976
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
SMILESCc1occc1-c1nnc(SCCC(=O)O)o1
InChIInChI=1S/C10H10N2O4S/c1-6-7(2-4-15-6)9-11-12-10(16-9)17-5-3-8(13)14/h2,4H,3,5H2,1H3,(H,13,14)
InChIKeyDLIMNUFCPLVDQF-UHFFFAOYSA-N
XLogP2.20
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid?
The IUPAC name of 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid (CID 6471976) is 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid.
What is the SMILES notation for 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid?
The canonical SMILES for 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid is Cc1occc1-c1nnc(SCCC(=O)O)o1.
What is the InChIKey of 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid?
The InChIKey is DLIMNUFCPLVDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c1-6-7(2-4-15-6)9-11-12-10(16-9)17-5-3-8(13)14/h2,4H,3,5H2,1H3,(H,13,14).
What are the key properties of 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid?
3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid has a molecular weight of 254.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid is sourced from PubChem (CID 6471976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).