5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole

C17H19FN2O — CID 166326629

IUPAC5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(Cc2noc(C3CC4CCC(C4)C3)n2)c1
InChIInChI=1S/C17H19FN2O/c18-15-3-1-2-11(9-15)10-16-19-17(21-20-16)14-7-12-4-5-13(6-12)8-14/h1-3,9,12-14H,4-8,10H2
InChIKeyQMOWSDWUHAEGSR-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.09
Rot. Bonds3

About 5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole

5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 166326629) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID166326629
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(Cc2noc(C3CC4CCC(C4)C3)n2)c1
InChIInChI=1S/C17H19FN2O/c18-15-3-1-2-11(9-15)10-16-19-17(21-20-16)14-7-12-4-5-13(6-12)8-14/h1-3,9,12-14H,4-8,10H2
InChIKeyQMOWSDWUHAEGSR-UHFFFAOYSA-N
XLogP4.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluorophenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893894
3-[(3-fluorophenyl)methyl]-5-[(2S,4S)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893889
3-[(3-fluorophenyl)methyl]-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 120893888
(3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911149
3-[(3-fluorophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900480
3-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780837
3-[(3-fluorophenyl)methyl]-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424846
3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893922
1-[(3R)-3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 100688666
N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350199
3-(chloromethyl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 43120187
4-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348650

Frequently Asked Questions

What is the IUPAC name of 5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 166326629) is 5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole is Fc1cccc(Cc2noc(C3CC4CCC(C4)C3)n2)c1.
What is the InChIKey of 5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is QMOWSDWUHAEGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-15-3-1-2-11(9-15)10-16-19-17(21-20-16)14-7-12-4-5-13(6-12)8-14/h1-3,9,12-14H,4-8,10H2.
What are the key properties of 5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 286.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166326629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).