2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole

C10H14N2O — CID 19887593

IUPAC2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole
SMILESCc1cnc(C23CCN(CC2)C3)o1
InChIInChI=1S/C10H14N2O/c1-8-6-11-9(13-8)10-2-4-12(7-10)5-3-10/h6H,2-5,7H2,1H3
InChIKeyFWMPKSQCXDLEBF-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.33
Rot. Bonds1

About 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole

2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole (PubChem CID 19887593) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole
PubChem CID19887593
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole
SMILESCc1cnc(C23CCN(CC2)C3)o1
InChIInChI=1S/C10H14N2O/c1-8-6-11-9(13-8)10-2-4-12(7-10)5-3-10/h6H,2-5,7H2,1H3
InChIKeyFWMPKSQCXDLEBF-UHFFFAOYSA-N
XLogP1.33
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole?
The IUPAC name of 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole (CID 19887593) is 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole is Cc1cnc(C23CCN(CC2)C3)o1.
What is the InChIKey of 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole?
The InChIKey is FWMPKSQCXDLEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-6-11-9(13-8)10-2-4-12(7-10)5-3-10/h6H,2-5,7H2,1H3.
What are the key properties of 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole?
2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole has a molecular weight of 178.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 19887593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).