(3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol

C7H11N3O3 — CID 130621915

IUPAC(3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol
SMILESCc1nnc(N2C[C@@H](O)[C@@H](O)C2)o1
InChIInChI=1S/C7H11N3O3/c1-4-8-9-7(13-4)10-2-5(11)6(12)3-10/h5-6,11-12H,2-3H2,1H3/t5-,6+
InChIKeyJAMBEVYHSHTXQX-OLQVQODUSA-N
MW185.18 g/mol
LogP-1.08
Rot. Bonds1

About (3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol

(3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol (PubChem CID 130621915) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is (3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol
PubChem CID130621915
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name(3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol
SMILESCc1nnc(N2C[C@@H](O)[C@@H](O)C2)o1
InChIInChI=1S/C7H11N3O3/c1-4-8-9-7(13-4)10-2-5(11)6(12)3-10/h5-6,11-12H,2-3H2,1H3/t5-,6+
InChIKeyJAMBEVYHSHTXQX-OLQVQODUSA-N
XLogP-1.08
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol (CID 130621915) is (3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol is Cc1nnc(N2C[C@@H](O)[C@@H](O)C2)o1.
What is the InChIKey of (3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol?
The InChIKey is JAMBEVYHSHTXQX-OLQVQODUSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4-8-9-7(13-4)10-2-5(11)6(12)3-10/h5-6,11-12H,2-3H2,1H3/t5-,6+.
What are the key properties of (3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol?
(3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol has a molecular weight of 185.18 g/mol, XLogP of -1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 130621915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).