5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid

C11H16N2O5S — CID 64904149

IUPAC5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nnc(C2CCS(=O)(=O)C2)o1
InChIInChI=1S/C11H16N2O5S/c14-10(15)4-2-1-3-9-12-13-11(18-9)8-5-6-19(16,17)7-8/h8H,1-7H2,(H,14,15)
InChIKeyQLOGILYPRQVNDT-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.77
Rot. Bonds6

About 5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid

5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid (PubChem CID 64904149) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
PubChem CID64904149
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nnc(C2CCS(=O)(=O)C2)o1
InChIInChI=1S/C11H16N2O5S/c14-10(15)4-2-1-3-9-12-13-11(18-9)8-5-6-19(16,17)7-8/h8H,1-7H2,(H,14,15)
InChIKeyQLOGILYPRQVNDT-UHFFFAOYSA-N
XLogP0.77
TPSA110.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The IUPAC name of 5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid (CID 64904149) is 5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid.
What is the SMILES notation for 5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The canonical SMILES for 5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid is O=C(O)CCCCc1nnc(C2CCS(=O)(=O)C2)o1.
What is the InChIKey of 5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The InChIKey is QLOGILYPRQVNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c14-10(15)4-2-1-3-9-12-13-11(18-9)8-5-6-19(16,17)7-8/h8H,1-7H2,(H,14,15).
What are the key properties of 5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid has a molecular weight of 288.32 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid is sourced from PubChem (CID 64904149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).