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

C14H17N3O2S — CID 63769574

IUPAC8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C14H17N3O2S/c18-11-6-9-3-4-10(7-11)17(9)8-13-15-16-14(19-13)12-2-1-5-20-12/h1-2,5,9-11,18H,3-4,6-8H2
InChIKeyFFTOVWYZDILRLL-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.29
Rot. Bonds3

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

8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769574) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769574
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C14H17N3O2S/c18-11-6-9-3-4-10(7-11)17(9)8-13-15-16-14(19-13)12-2-1-5-20-12/h1-2,5,9-11,18H,3-4,6-8H2
InChIKeyFFTOVWYZDILRLL-UHFFFAOYSA-N
XLogP2.29
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63769574) is 8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2Cc1nnc(-c2cccs2)o1.
What is the InChIKey of 8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FFTOVWYZDILRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-11-6-9-3-4-10(7-11)17(9)8-13-15-16-14(19-13)12-2-1-5-20-12/h1-2,5,9-11,18H,3-4,6-8H2.
What are the key properties of 8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 291.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).