1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C13H15N5O2 — CID 129417106

IUPAC1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1ccno1)N1[C@H]2CC[C@H]1CC(n1nccn1)C2
InChIInChI=1S/C13H15N5O2/c19-13(12-3-4-16-20-12)17-9-1-2-10(17)8-11(7-9)18-14-5-6-15-18/h3-6,9-11H,1-2,7-8H2/t9-,10-/m0/s1
InChIKeyLBWDXXYLJDSBDE-UWVGGRQHSA-N
MW273.30 g/mol
LogP1.27
Rot. Bonds2

About 1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 129417106) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID129417106
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1ccno1)N1[C@H]2CC[C@H]1CC(n1nccn1)C2
InChIInChI=1S/C13H15N5O2/c19-13(12-3-4-16-20-12)17-9-1-2-10(17)8-11(7-9)18-14-5-6-15-18/h3-6,9-11H,1-2,7-8H2/t9-,10-/m0/s1
InChIKeyLBWDXXYLJDSBDE-UWVGGRQHSA-N
XLogP1.27
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 129417106) is 1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is O=C(c1ccno1)N1[C@H]2CC[C@H]1CC(n1nccn1)C2.
What is the InChIKey of 1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is LBWDXXYLJDSBDE-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-13(12-3-4-16-20-12)17-9-1-2-10(17)8-11(7-9)18-14-5-6-15-18/h3-6,9-11H,1-2,7-8H2/t9-,10-/m0/s1.
What are the key properties of 1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 273.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 129417106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).