1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride

C11H15Cl2N3O2 — CID 75296056

IUPAC1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride
SMILESCl.Clc1cc(CON=CC2CN3CCC2C3)on1
InChIInChI=1S/C11H14ClN3O2.ClH/c12-11-3-10(17-14-11)7-16-13-4-9-6-15-2-1-8(9)5-15;/h3-4,8-9H,1-2,5-7H2;1H
InChIKeyWVPRJVMPFHEDIF-UHFFFAOYSA-N
MW292.17 g/mol
LogP2.20
Rot. Bonds4

About 1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride

1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride (PubChem CID 75296056) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride
PubChem CID75296056
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride
SMILESCl.Clc1cc(CON=CC2CN3CCC2C3)on1
InChIInChI=1S/C11H14ClN3O2.ClH/c12-11-3-10(17-14-11)7-16-13-4-9-6-15-2-1-8(9)5-15;/h3-4,8-9H,1-2,5-7H2;1H
InChIKeyWVPRJVMPFHEDIF-UHFFFAOYSA-N
XLogP2.20
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride?
The IUPAC name of 1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride (CID 75296056) is 1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride.
What is the SMILES notation for 1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride?
The canonical SMILES for 1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride is Cl.Clc1cc(CON=CC2CN3CCC2C3)on1.
What is the InChIKey of 1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride?
The InChIKey is WVPRJVMPFHEDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2.ClH/c12-11-3-10(17-14-11)7-16-13-4-9-6-15-2-1-8(9)5-15;/h3-4,8-9H,1-2,5-7H2;1H.
What are the key properties of 1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride?
1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride has a molecular weight of 292.17 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.1]heptan-3-yl)-N-[(3-chloro-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride is sourced from PubChem (CID 75296056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).