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

C10H12N2O — CID 67796476

IUPAC5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole
SMILESC(=C1CN2CCC1C2)c1cnco1
InChIInChI=1S/C10H12N2O/c1-2-12-5-8(1)9(6-12)3-10-4-11-7-13-10/h3-4,7-8H,1-2,5-6H2
InChIKeyVKAPHUVLTLWKPB-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.39
Rot. Bonds1

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

5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole (PubChem CID 67796476) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole
PubChem CID67796476
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole
SMILESC(=C1CN2CCC1C2)c1cnco1
InChIInChI=1S/C10H12N2O/c1-2-12-5-8(1)9(6-12)3-10-4-11-7-13-10/h3-4,7-8H,1-2,5-6H2
InChIKeyVKAPHUVLTLWKPB-UHFFFAOYSA-N
XLogP1.39
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole?
The IUPAC name of 5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole (CID 67796476) is 5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole is C(=C1CN2CCC1C2)c1cnco1.
What is the InChIKey of 5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole?
The InChIKey is VKAPHUVLTLWKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-12-5-8(1)9(6-12)3-10-4-11-7-13-10/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole?
5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole has a molecular weight of 176.22 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-1,3-oxazole is sourced from PubChem (CID 67796476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).