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

C18H20FN3O2 — CID 110219232

IUPAC1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1nonc1CC(=O)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C18H20FN3O2/c1-11-17(21-24-20-11)10-18(23)22-15-6-7-16(22)9-13(8-15)12-2-4-14(19)5-3-12/h2-5,13,15-16H,6-10H2,1H3
InChIKeyCGKCRPCBJYLSIP-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.00
Rot. Bonds3

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

1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (PubChem CID 110219232) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
PubChem CID110219232
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1nonc1CC(=O)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C18H20FN3O2/c1-11-17(21-24-20-11)10-18(23)22-15-6-7-16(22)9-13(8-15)12-2-4-14(19)5-3-12/h2-5,13,15-16H,6-10H2,1H3
InChIKeyCGKCRPCBJYLSIP-UHFFFAOYSA-N
XLogP3.00
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (CID 110219232) is 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is Cc1nonc1CC(=O)N1C2CCC1CC(c1ccc(F)cc1)C2.
What is the InChIKey of 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The InChIKey is CGKCRPCBJYLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-11-17(21-24-20-11)10-18(23)22-15-6-7-16(22)9-13(8-15)12-2-4-14(19)5-3-12/h2-5,13,15-16H,6-10H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone has a molecular weight of 329.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 110219232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).