N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

C12H20ClN3O — CID 120836468

IUPACN-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCN(Cc1cocn1)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-15(6-11-7-16-8-13-11)12-4-9-2-3-10(5-12)14-9;/h7-10,12,14H,2-6H2,1H3;1H
InChIKeyHYNPDHXWPCVROI-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (PubChem CID 120836468) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
PubChem CID120836468
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC NameN-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCN(Cc1cocn1)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-15(6-11-7-16-8-13-11)12-4-9-2-3-10(5-12)14-9;/h7-10,12,14H,2-6H2,1H3;1H
InChIKeyHYNPDHXWPCVROI-UHFFFAOYSA-N
XLogP1.81
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride with MolForge

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836453
N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66133908
N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836577
N-[(4-ethoxy-3-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836496
N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836616
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836581
N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 104869195
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232377
N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836604
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61495330
N-[(3-chloro-4-methylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836502
1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine
CID 139027582

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The IUPAC name of N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (CID 120836468) is N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The canonical SMILES for N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is CN(Cc1cocn1)C1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The InChIKey is HYNPDHXWPCVROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-15(6-11-7-16-8-13-11)12-4-9-2-3-10(5-12)14-9;/h7-10,12,14H,2-6H2,1H3;1H.
What are the key properties of N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is sourced from PubChem (CID 120836468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).