3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride

C11H17ClN2O — CID 10911335

IUPAC3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride
SMILESCc1cc(C23CCC(CC2)[NH+]3C)on1.[Cl-]
InChIInChI=1S/C11H16N2O.ClH/c1-8-7-10(14-12-8)11-5-3-9(4-6-11)13(11)2;/h7,9H,3-6H2,1-2H3;1H
InChIKeyGZHYLUFKBCQGFG-UHFFFAOYSA-N
MW228.72 g/mol
LogP-2.35
Rot. Bonds1

About 3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride

3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride (PubChem CID 10911335) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride.

Molecular Properties

Compound Name3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride
PubChem CID10911335
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride
SMILESCc1cc(C23CCC(CC2)[NH+]3C)on1.[Cl-]
InChIInChI=1S/C11H16N2O.ClH/c1-8-7-10(14-12-8)11-5-3-9(4-6-11)13(11)2;/h7,9H,3-6H2,1-2H3;1H
InChIKeyGZHYLUFKBCQGFG-UHFFFAOYSA-N
XLogP-2.35
TPSA30.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 5-2.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride?
The IUPAC name of 3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride (CID 10911335) is 3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride.
What is the SMILES notation for 3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride?
The canonical SMILES for 3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride is Cc1cc(C23CCC(CC2)[NH+]3C)on1.[Cl-].
What is the InChIKey of 3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride?
The InChIKey is GZHYLUFKBCQGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-8-7-10(14-12-8)11-5-3-9(4-6-11)13(11)2;/h7,9H,3-6H2,1-2H3;1H.
What are the key properties of 3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride?
3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride has a molecular weight of 228.72 g/mol, XLogP of -2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride is sourced from PubChem (CID 10911335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).