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

C22H21FN4O3 — CID 171148685

IUPAC2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1C2CCC1CC(c1nc(-c3ccncc3)no1)C2
InChIInChI=1S/C22H21FN4O3/c23-16-1-5-19(6-2-16)29-13-20(28)27-17-3-4-18(27)12-15(11-17)22-25-21(26-30-22)14-7-9-24-10-8-14/h1-2,5-10,15,17-18H,3-4,11-13H2
InChIKeyOBFGEBIFXFELNQ-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.59
Rot. Bonds5

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

2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone (PubChem CID 171148685) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
PubChem CID171148685
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1C2CCC1CC(c1nc(-c3ccncc3)no1)C2
InChIInChI=1S/C22H21FN4O3/c23-16-1-5-19(6-2-16)29-13-20(28)27-17-3-4-18(27)12-15(11-17)22-25-21(26-30-22)14-7-9-24-10-8-14/h1-2,5-10,15,17-18H,3-4,11-13H2
InChIKeyOBFGEBIFXFELNQ-UHFFFAOYSA-N
XLogP3.59
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 91946446
2-(4-fluorophenoxy)-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 91905654
5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 42851402
1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone
CID 139028925
2-methoxy-1-[(3R)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 97456697
2-methoxy-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 72938728
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91946483
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 52511029
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 5042134
3-pyridin-4-yl-5-(8-thiophen-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole
CID 171148653
(E)-2-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 162314553

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone (CID 171148685) is 2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone is O=C(COc1ccc(F)cc1)N1C2CCC1CC(c1nc(-c3ccncc3)no1)C2.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The InChIKey is OBFGEBIFXFELNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c23-16-1-5-19(6-2-16)29-13-20(28)27-17-3-4-18(27)12-15(11-17)22-25-21(26-30-22)14-7-9-24-10-8-14/h1-2,5-10,15,17-18H,3-4,11-13H2.
What are the key properties of 2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone has a molecular weight of 408.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone is sourced from PubChem (CID 171148685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).