(3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol

C7H11N3O3 — CID 115278433

IUPAC(3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2ncon2)C[C@@H]1O
InChIInChI=1S/C7H11N3O3/c11-5-1-10(2-6(5)12)3-7-8-4-13-9-7/h4-6,11-12H,1-3H2/t5-,6+
InChIKeyZFLVAGREPVAIMD-OLQVQODUSA-N
MW185.18 g/mol
LogP-1.39
Rot. Bonds2

About (3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol

(3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol (PubChem CID 115278433) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is (3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol
PubChem CID115278433
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name(3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2ncon2)C[C@@H]1O
InChIInChI=1S/C7H11N3O3/c11-5-1-10(2-6(5)12)3-7-8-4-13-9-7/h4-6,11-12H,1-3H2/t5-,6+
InChIKeyZFLVAGREPVAIMD-OLQVQODUSA-N
XLogP-1.39
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol (CID 115278433) is (3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol is O[C@@H]1CN(Cc2ncon2)C[C@@H]1O.
What is the InChIKey of (3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol?
The InChIKey is ZFLVAGREPVAIMD-OLQVQODUSA-N. The full InChI is InChI=1S/C7H11N3O3/c11-5-1-10(2-6(5)12)3-7-8-4-13-9-7/h4-6,11-12H,1-3H2/t5-,6+.
What are the key properties of (3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol?
(3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol has a molecular weight of 185.18 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 115278433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).