5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole

C11H14N2O — CID 10420033

IUPAC5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(/C=C2\CN3CCC2C3)on1
InChIInChI=1S/C11H14N2O/c1-8-4-11(14-12-8)5-10-7-13-3-2-9(10)6-13/h4-5,9H,2-3,6-7H2,1H3/b10-5+
InChIKeyLNIKTCCVSHMIFS-BJMVGYQFSA-N
MW190.25 g/mol
LogP1.70
Rot. Bonds1

About 5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole

5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole (PubChem CID 10420033) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole
PubChem CID10420033
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(/C=C2\CN3CCC2C3)on1
InChIInChI=1S/C11H14N2O/c1-8-4-11(14-12-8)5-10-7-13-3-2-9(10)6-13/h4-5,9H,2-3,6-7H2,1H3/b10-5+
InChIKeyLNIKTCCVSHMIFS-BJMVGYQFSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole (CID 10420033) is 5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole is Cc1cc(/C=C2\CN3CCC2C3)on1.
What is the InChIKey of 5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole?
The InChIKey is LNIKTCCVSHMIFS-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-4-11(14-12-8)5-10-7-13-3-2-9(10)6-13/h4-5,9H,2-3,6-7H2,1H3/b10-5+.
What are the key properties of 5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole?
5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole has a molecular weight of 190.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 10420033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).