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

C13H18N2O — CID 53483935

IUPAC5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole
SMILESCCc1cc(C2=CCC[C@@H]3CC[C@H]2N3)on1
InChIInChI=1S/C13H18N2O/c1-2-9-8-13(16-15-9)11-5-3-4-10-6-7-12(11)14-10/h5,8,10,12,14H,2-4,6-7H2,1H3/t10-,12-/m1/s1
InChIKeySGKHYTHELMNODZ-ZYHUDNBSSA-N
MW218.30 g/mol
LogP2.53
Rot. Bonds2

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

5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole (PubChem CID 53483935) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole
PubChem CID53483935
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole
SMILESCCc1cc(C2=CCC[C@@H]3CC[C@H]2N3)on1
InChIInChI=1S/C13H18N2O/c1-2-9-8-13(16-15-9)11-5-3-4-10-6-7-12(11)14-10/h5,8,10,12,14H,2-4,6-7H2,1H3/t10-,12-/m1/s1
InChIKeySGKHYTHELMNODZ-ZYHUDNBSSA-N
XLogP2.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.53
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-ethyl-1,2-oxazole?
The IUPAC name of 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole (CID 53483935) is 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole.
What is the SMILES notation for 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole?
The canonical SMILES for 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole is CCc1cc(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-ethyl-1,2-oxazole?
The InChIKey is SGKHYTHELMNODZ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-9-8-13(16-15-9)11-5-3-4-10-6-7-12(11)14-10/h5,8,10,12,14H,2-4,6-7H2,1H3/t10-,12-/m1/s1.
What are the key properties of 5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole?
5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-ethyl-1,2-oxazole has a molecular weight of 218.30 g/mol, XLogP of 2.53, 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-ethyl-1,2-oxazole is sourced from PubChem (CID 53483935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).