3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride

C7H12ClN3O — CID 46941932

IUPAC3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc([C@H]2CCCN2)n1.Cl
InChIInChI=1S/C7H11N3O.ClH/c1-5-9-7(11-10-5)6-3-2-4-8-6;/h6,8H,2-4H2,1H3;1H/t6-;/m1./s1
InChIKeyWJESNAGBIGVDJP-FYZOBXCZSA-N
MW189.65 g/mol
LogP1.22
Rot. Bonds1

About 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride

3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 46941932) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID46941932
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc([C@H]2CCCN2)n1.Cl
InChIInChI=1S/C7H11N3O.ClH/c1-5-9-7(11-10-5)6-3-2-4-8-6;/h6,8H,2-4H2,1H3;1H/t6-;/m1./s1
InChIKeyWJESNAGBIGVDJP-FYZOBXCZSA-N
XLogP1.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride (CID 46941932) is 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride is Cc1noc([C@H]2CCCN2)n1.Cl.
What is the InChIKey of 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is WJESNAGBIGVDJP-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H11N3O.ClH/c1-5-9-7(11-10-5)6-3-2-4-8-6;/h6,8H,2-4H2,1H3;1H/t6-;/m1./s1.
What are the key properties of 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 46941932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).