8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

C11H16N2O2 — CID 63768888

IUPAC8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1cnoc1
InChIInChI=1S/C11H16N2O2/c14-11-3-9-1-2-10(4-11)13(9)6-8-5-12-15-7-8/h5,7,9-11,14H,1-4,6H2
InChIKeyBVGAWAYADDLANQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.16
Rot. Bonds2

About 8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768888) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768888
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1cnoc1
InChIInChI=1S/C11H16N2O2/c14-11-3-9-1-2-10(4-11)13(9)6-8-5-12-15-7-8/h5,7,9-11,14H,1-4,6H2
InChIKeyBVGAWAYADDLANQ-UHFFFAOYSA-N
XLogP1.16
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63768888) is 8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2Cc1cnoc1.
What is the InChIKey of 8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BVGAWAYADDLANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11-3-9-1-2-10(4-11)13(9)6-8-5-12-15-7-8/h5,7,9-11,14H,1-4,6H2.
What are the key properties of 8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 208.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).