5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol

C11H17N3O2 — CID 70384584

IUPAC5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol
SMILESCC(C)c1noc(C2CN3CC(O)C2C3)n1
InChIInChI=1S/C11H17N3O2/c1-6(2)10-12-11(16-13-10)8-4-14-3-7(8)9(15)5-14/h6-9,15H,3-5H2,1-2H3
InChIKeyXEKBQEWGAOJICC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.58
Rot. Bonds2

About 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol

5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol (PubChem CID 70384584) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol.

Molecular Properties

Compound Name5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol
PubChem CID70384584
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol
SMILESCC(C)c1noc(C2CN3CC(O)C2C3)n1
InChIInChI=1S/C11H17N3O2/c1-6(2)10-12-11(16-13-10)8-4-14-3-7(8)9(15)5-14/h6-9,15H,3-5H2,1-2H3
InChIKeyXEKBQEWGAOJICC-UHFFFAOYSA-N
XLogP0.58
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol with MolForge

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Related Compounds

(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911085
4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114392630
N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66248052
tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 129494256
5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 121098870
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 131631949
1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098383
N-benzyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098797
5-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 90649325
N-tert-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098775
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155503006
4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114512904

Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
The IUPAC name of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol (CID 70384584) is 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol.
What is the SMILES notation for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
The canonical SMILES for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol is CC(C)c1noc(C2CN3CC(O)C2C3)n1.
What is the InChIKey of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
The InChIKey is XEKBQEWGAOJICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6(2)10-12-11(16-13-10)8-4-14-3-7(8)9(15)5-14/h6-9,15H,3-5H2,1-2H3.
What are the key properties of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol has a molecular weight of 223.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan-3-ol is sourced from PubChem (CID 70384584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).