3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride

C7H12ClN3O — CID 53400826

IUPAC3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2CCNC2)n1.Cl
InChIInChI=1S/C7H11N3O.ClH/c1-5-9-7(11-10-5)6-2-3-8-4-6;/h6,8H,2-4H2,1H3;1H
InChIKeyZNFSKFKUBLQDHA-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.88
Rot. Bonds1

About 3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride

3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 53400826) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID53400826
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2CCNC2)n1.Cl
InChIInChI=1S/C7H11N3O.ClH/c1-5-9-7(11-10-5)6-2-3-8-4-6;/h6,8H,2-4H2,1H3;1H
InChIKeyZNFSKFKUBLQDHA-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride (CID 53400826) is 3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride is Cc1noc(C2CCNC2)n1.Cl.
What is the InChIKey of 3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is ZNFSKFKUBLQDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.ClH/c1-5-9-7(11-10-5)6-2-3-8-4-6;/h6,8H,2-4H2,1H3;1H.
What are the key properties of 3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride?
3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 53400826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).