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

C18H23N3O2 — CID 126836417

IUPAC8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nc(C(C)N2C3CCC2CC(O)(c2ccccc2)C3)no1
InChIInChI=1S/C18H23N3O2/c1-12(17-19-13(2)23-20-17)21-15-8-9-16(21)11-18(22,10-15)14-6-4-3-5-7-14/h3-7,12,15-16,22H,8-11H2,1-2H3
InChIKeyICQCIUXEIHNVEZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.95
Rot. Bonds3

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

8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 126836417) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID126836417
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nc(C(C)N2C3CCC2CC(O)(c2ccccc2)C3)no1
InChIInChI=1S/C18H23N3O2/c1-12(17-19-13(2)23-20-17)21-15-8-9-16(21)11-18(22,10-15)14-6-4-3-5-7-14/h3-7,12,15-16,22H,8-11H2,1-2H3
InChIKeyICQCIUXEIHNVEZ-UHFFFAOYSA-N
XLogP2.95
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol (CID 126836417) is 8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol is Cc1nc(C(C)N2C3CCC2CC(O)(c2ccccc2)C3)no1.
What is the InChIKey of 8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ICQCIUXEIHNVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(17-19-13(2)23-20-17)21-15-8-9-16(21)11-18(22,10-15)14-6-4-3-5-7-14/h3-7,12,15-16,22H,8-11H2,1-2H3.
What are the key properties of 8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 313.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 126836417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).