5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride

C12H18ClN3O — CID 70384934

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
SMILESC1CC1c1noc(C2CN3CCC2CC3)n1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-2-9(1)11-13-12(16-14-11)10-7-15-5-3-8(10)4-6-15;/h8-10H,1-7H2;1H
InChIKeyRIFAEDHEGHTFON-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.18
Rot. Bonds2

About 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 70384934) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
PubChem CID70384934
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
SMILESC1CC1c1noc(C2CN3CCC2CC3)n1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-2-9(1)11-13-12(16-14-11)10-7-15-5-3-8(10)4-6-15;/h8-10H,1-7H2;1H
InChIKeyRIFAEDHEGHTFON-UHFFFAOYSA-N
XLogP2.18
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]formamide;hydrochloride
CID 88506378
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole
CID 164773960
5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 19886304
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole
CID 14810882
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 71778975
N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexanecarboxamide
CID 19797372
[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-(2,2-dimethylpropyl)carbamic acid;hydrochloride
CID 70382592
3-cyclopropyl-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63721270
3-cyclopropyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79369015
5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole
CID 21476654
5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 131020863
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetic acid
CID 56766304

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride (CID 70384934) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride is C1CC1c1noc(C2CN3CCC2CC3)n1.Cl.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is RIFAEDHEGHTFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c1-2-9(1)11-13-12(16-14-11)10-7-15-5-3-8(10)4-6-15;/h8-10H,1-7H2;1H.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 70384934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).