[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone

C19H20FN3O3 — CID 110141838

IUPAC[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3F)CO2)C1
InChIInChI=1S/C19H20FN3O3/c20-15-4-1-2-5-17(15)26-14-10-19(25-12-14)6-3-9-23(13-19)18(24)16-11-21-7-8-22-16/h1-2,4-5,7-8,11,14H,3,6,9-10,12-13H2/t14-,19-/m1/s1
InChIKeyYVFTZWQIVYKEHE-AUUYWEPGSA-N
MW357.38 g/mol
LogP2.46
Rot. Bonds3

About [(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone

[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone (PubChem CID 110141838) has the molecular formula C19H20FN3O3 and a molecular weight of 357.38 g/mol. Its IUPAC name is [(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
PubChem CID110141838
Molecular FormulaC19H20FN3O3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3F)CO2)C1
InChIInChI=1S/C19H20FN3O3/c20-15-4-1-2-5-17(15)26-14-10-19(25-12-14)6-3-9-23(13-19)18(24)16-11-21-7-8-22-16/h1-2,4-5,7-8,11,14H,3,6,9-10,12-13H2/t14-,19-/m1/s1
InChIKeyYVFTZWQIVYKEHE-AUUYWEPGSA-N
XLogP2.46
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419587
[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-3-ylmethanone
CID 110138846
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837773
pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97371619
[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488597
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97419632
[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610
pyridin-4-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409097
pyridin-3-yl-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 134071304
pyridin-4-yl-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409098
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 127022408
1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97484872

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone (CID 110141838) is [(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3F)CO2)C1.
What is the InChIKey of [(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone?
The InChIKey is YVFTZWQIVYKEHE-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-15-4-1-2-5-17(15)26-14-10-19(25-12-14)6-3-9-23(13-19)18(24)16-11-21-7-8-22-16/h1-2,4-5,7-8,11,14H,3,6,9-10,12-13H2/t14-,19-/m1/s1.
What are the key properties of [(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone?
[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone has a molecular weight of 357.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 110141838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).