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

C16H18ClN3O — CID 79609412

IUPAC5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(CC2CC3CCC(C2)N3)n1
InChIInChI=1S/C16H18ClN3O/c17-14-4-2-1-3-13(14)16-19-15(21-20-16)9-10-7-11-5-6-12(8-10)18-11/h1-4,10-12,18H,5-9H2
InChIKeyCGINIWMTQRCEBD-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.46
Rot. Bonds3

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

5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 79609412) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole
PubChem CID79609412
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(CC2CC3CCC(C2)N3)n1
InChIInChI=1S/C16H18ClN3O/c17-14-4-2-1-3-13(14)16-19-15(21-20-16)9-10-7-11-5-6-12(8-10)18-11/h1-4,10-12,18H,5-9H2
InChIKeyCGINIWMTQRCEBD-UHFFFAOYSA-N
XLogP3.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608442
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole
CID 79609378
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 119947681
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 119947808
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 79608373
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 119947623
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 65250028
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 79609647
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanamine
CID 63352508
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 79609646
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62061668
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62371397

Frequently Asked Questions

What is the IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole (CID 79609412) is 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole is Clc1ccccc1-c1noc(CC2CC3CCC(C2)N3)n1.
What is the InChIKey of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is CGINIWMTQRCEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-14-4-2-1-3-13(14)16-19-15(21-20-16)9-10-7-11-5-6-12(8-10)18-11/h1-4,10-12,18H,5-9H2.
What are the key properties of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole?
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 303.79 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79609412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).