8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

C10H15N3O2 — CID 63768392

IUPAC8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1ncno1
InChIInChI=1S/C10H15N3O2/c14-9-3-7-1-2-8(4-9)13(7)5-10-11-6-12-15-10/h6-9,14H,1-5H2
InChIKeyMNWJDUKMICQEIL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.56
Rot. Bonds2

About 8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768392) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768392
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1ncno1
InChIInChI=1S/C10H15N3O2/c14-9-3-7-1-2-8(4-9)13(7)5-10-11-6-12-15-10/h6-9,14H,1-5H2
InChIKeyMNWJDUKMICQEIL-UHFFFAOYSA-N
XLogP0.56
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63768392) is 8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2Cc1ncno1.
What is the InChIKey of 8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is MNWJDUKMICQEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9-3-7-1-2-8(4-9)13(7)5-10-11-6-12-15-10/h6-9,14H,1-5H2.
What are the key properties of 8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 209.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,4-oxadiazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).