5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride

C10H15ClN2O — CID 45265781

IUPAC5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride
SMILESCc1cc(C2C3CCC2NC3)on1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-6-4-9(13-12-6)10-7-2-3-8(10)11-5-7;/h4,7-8,10-11H,2-3,5H2,1H3;1H
InChIKeyDKXFPULHEIGDSS-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.87
Rot. Bonds1

About 5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride

5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride (PubChem CID 45265781) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride
PubChem CID45265781
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride
SMILESCc1cc(C2C3CCC2NC3)on1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-6-4-9(13-12-6)10-7-2-3-8(10)11-5-7;/h4,7-8,10-11H,2-3,5H2,1H3;1H
InChIKeyDKXFPULHEIGDSS-UHFFFAOYSA-N
XLogP1.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride?
The IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride (CID 45265781) is 5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride is Cc1cc(C2C3CCC2NC3)on1.Cl.
What is the InChIKey of 5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride?
The InChIKey is DKXFPULHEIGDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-6-4-9(13-12-6)10-7-2-3-8(10)11-5-7;/h4,7-8,10-11H,2-3,5H2,1H3;1H.
What are the key properties of 5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride?
5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.2.1]heptan-7-yl)-3-methyl-1,2-oxazole;hydrochloride is sourced from PubChem (CID 45265781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).