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

C12H16N2O — CID 53483934

IUPAC5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(C2=CCC[C@@H]3CC[C@H]2N3)on1
InChIInChI=1S/C12H16N2O/c1-8-7-12(15-14-8)10-4-2-3-9-5-6-11(10)13-9/h4,7,9,11,13H,2-3,5-6H2,1H3/t9-,11-/m1/s1
InChIKeySQXMPQMUYIPXNQ-MWLCHTKSSA-N
MW204.27 g/mol
LogP2.28
Rot. Bonds1

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

5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole (PubChem CID 53483934) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole
PubChem CID53483934
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(C2=CCC[C@@H]3CC[C@H]2N3)on1
InChIInChI=1S/C12H16N2O/c1-8-7-12(15-14-8)10-4-2-3-9-5-6-11(10)13-9/h4,7,9,11,13H,2-3,5-6H2,1H3/t9-,11-/m1/s1
InChIKeySQXMPQMUYIPXNQ-MWLCHTKSSA-N
XLogP2.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole (CID 53483934) is 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole is Cc1cc(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-methyl-1,2-oxazole?
The InChIKey is SQXMPQMUYIPXNQ-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-7-12(15-14-8)10-4-2-3-9-5-6-11(10)13-9/h4,7,9,11,13H,2-3,5-6H2,1H3/t9-,11-/m1/s1.
What are the key properties of 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole?
5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 204.27 g/mol, XLogP of 2.28, 1 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-methyl-1,2-oxazole is sourced from PubChem (CID 53483934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).