2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride

C6H11Cl2N3O — CID 162343207

IUPAC2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride
SMILESCl.Cl.c1nnc(C2CCNC2)o1
InChIInChI=1S/C6H9N3O.2ClH/c1-2-7-3-5(1)6-9-8-4-10-6;;/h4-5,7H,1-3H2;2*1H
InChIKeyVYIYHULBSSYKBH-UHFFFAOYSA-N
MW212.08 g/mol
LogP0.99
Rot. Bonds1

About 2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride

2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride (PubChem CID 162343207) has the molecular formula C6H11Cl2N3O and a molecular weight of 212.08 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride
PubChem CID162343207
Molecular FormulaC6H11Cl2N3O
Molecular Weight212.08 g/mol
Exact Mass211.03
IUPAC Name2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride
SMILESCl.Cl.c1nnc(C2CCNC2)o1
InChIInChI=1S/C6H9N3O.2ClH/c1-2-7-3-5(1)6-9-8-4-10-6;;/h4-5,7H,1-3H2;2*1H
InChIKeyVYIYHULBSSYKBH-UHFFFAOYSA-N
XLogP0.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Pyrrolidin-3-yl)-1,3,4-oxadiazole
CID 55286899
2-Cyclopropyl-5-(pyrrolidin-3-yl)-1,3,4-oxadiazole
CID 58408443
2-Methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole
CID 58408462
2-(2-Methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole
CID 58408464
2-Isopropyl-5-(pyrrolidin-3-yl)-1,3,4-oxadiazole
CID 58408473
2-Methyl-5-(3R)-3-pyrrolidinyl-1,3,4-oxadiazole
CID 95165260
2-(2,7-Diazaspiro[3.4]octan-5-yl)-1,3,4-oxadiazole
CID 175984101
2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137551
2-Methyl-5-(pyrrolidin-3-yl)-1,3,4-oxadiazole dihydrochloride
CID 71741576
2-Propyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole
CID 75615547
2-Ethyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole
CID 77231097
2-methyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 95165261

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride?
The IUPAC name of 2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride (CID 162343207) is 2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride.
What is the SMILES notation for 2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride?
The canonical SMILES for 2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride is Cl.Cl.c1nnc(C2CCNC2)o1.
What is the InChIKey of 2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride?
The InChIKey is VYIYHULBSSYKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.2ClH/c1-2-7-3-5(1)6-9-8-4-10-6;;/h4-5,7H,1-3H2;2*1H.
What are the key properties of 2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride?
2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride has a molecular weight of 212.08 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride is sourced from PubChem (CID 162343207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).