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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).