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

C10H12N2O — CID 44577579

IUPAC5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(C2=CC3CCC2N3)on1
InChIInChI=1S/C10H12N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4-5,7,9,11H,2-3H2,1H3
InChIKeySLGZVZSKPWANIB-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.50
Rot. Bonds1

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

5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole (PubChem CID 44577579) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole
PubChem CID44577579
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(C2=CC3CCC2N3)on1
InChIInChI=1S/C10H12N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4-5,7,9,11H,2-3H2,1H3
InChIKeySLGZVZSKPWANIB-UHFFFAOYSA-N
XLogP1.50
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole (CID 44577579) is 5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole is Cc1cc(C2=CC3CCC2N3)on1.
What is the InChIKey of 5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole?
The InChIKey is SLGZVZSKPWANIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4-5,7,9,11H,2-3H2,1H3.
What are the key properties of 5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole?
5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole has a molecular weight of 176.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 44577579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).