5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole

C14H20N2O — CID 56677105

IUPAC5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(C2=CCC[C@@H]3CC[C@H]2N3)on1
InChIInChI=1S/C14H20N2O/c1-9(2)13-8-14(17-16-13)11-5-3-4-10-6-7-12(11)15-10/h5,8-10,12,15H,3-4,6-7H2,1-2H3/t10-,12-/m1/s1
InChIKeyVGBDXHHMMFYQNT-ZYHUDNBSSA-N
MW232.33 g/mol
LogP3.10
Rot. Bonds2

About 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole

5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 56677105) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID56677105
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(C2=CCC[C@@H]3CC[C@H]2N3)on1
InChIInChI=1S/C14H20N2O/c1-9(2)13-8-14(17-16-13)11-5-3-4-10-6-7-12(11)15-10/h5,8-10,12,15H,3-4,6-7H2,1-2H3/t10-,12-/m1/s1
InChIKeyVGBDXHHMMFYQNT-ZYHUDNBSSA-N
XLogP3.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole with MolForge

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Related Compounds

exo-2-(3-Methyl-5-isoxazolyl)-7-azabicyclo[2.2.1]heptane hydrochloride
CID 9794379
Epiboxidine
CID 5747670
7-(3-Methylisoxazol-5-yl)-6-aza-bicyclo[2.2.1]heptane
CID 21574409
Exo-epiboxidine
CID 44577577
5-Methyl-3-(pyrrolidin-2-yl)-1,2-oxazole
CID 25220780
3-Methyl-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2-oxazole
CID 44304690
Endo-epiboxidine
CID 44577578
5-(7-Azabicyclo[2.2.1]hept-2-en-2-yl)-3-methyl-1,2-oxazole
CID 44577579
3-Methyl-5-(7-methyl-7-azabicyclo[2.2.1]hept-2-en-2-yl)-1,2-oxazole
CID 44577580
5-(8-Azabicyclo[3.2.1]oct-2-en-3-yl)-3-methyl-1,2-oxazole;oxalic acid
CID 46905346
5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole
CID 53483934
5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole
CID 53483935

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole (CID 56677105) is 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole is CC(C)c1cc(C2=CCC[C@@H]3CC[C@H]2N3)on1.
What is the InChIKey of 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is VGBDXHHMMFYQNT-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)13-8-14(17-16-13)11-5-3-4-10-6-7-12(11)15-10/h5,8-10,12,15H,3-4,6-7H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole?
5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 232.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 56677105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).