3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole

C11H14N2O — CID 44577580

IUPAC3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole
SMILESCc1cc(C2=CC3CCC2N3C)on1
InChIInChI=1S/C11H14N2O/c1-7-5-11(14-12-7)9-6-8-3-4-10(9)13(8)2/h5-6,8,10H,3-4H2,1-2H3
InChIKeyVAFZJTZYIZABRG-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.84
Rot. Bonds1

About 3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole

3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole (PubChem CID 44577580) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole
PubChem CID44577580
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole
SMILESCc1cc(C2=CC3CCC2N3C)on1
InChIInChI=1S/C11H14N2O/c1-7-5-11(14-12-7)9-6-8-3-4-10(9)13(8)2/h5-6,8,10H,3-4H2,1-2H3
InChIKeyVAFZJTZYIZABRG-UHFFFAOYSA-N
XLogP1.84
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propyl-5-(3-p-tolylisoxazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 9817231
3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[2.2.1]heptane
CID 9838591
3-[1-(3-Methyl-isoxazol-5-yl)-meth-(Z)-ylidene]-1-aza-bicyclo[2.2.1]heptane
CID 10420033
3-methyl-5-[(Z)-(1-methylpyrrolidin-3-ylidene)methyl]-1,2-oxazole
CID 10535318
3-Methyl-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2-oxazole
CID 44304690
3-butyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 44358877
5-[(2R)-1-methylpyrrolidin-2-yl]-3-phenyl-1,2-oxazole
CID 44358942
3-benzyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 44359142
5-(7-Azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole
CID 44577579
3-Methyl-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,2-oxazole;oxalic acid
CID 46905349
5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole
CID 53483934
5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole
CID 53483935

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole (CID 44577580) is 3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole is Cc1cc(C2=CC3CCC2N3C)on1.
What is the InChIKey of 3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole?
The InChIKey is VAFZJTZYIZABRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-5-11(14-12-7)9-6-8-3-4-10(9)13(8)2/h5-6,8,10H,3-4H2,1-2H3.
What are the key properties of 3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole?
3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole has a molecular weight of 190.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole is sourced from PubChem (CID 44577580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).