[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone

C18H19FN2O3S — CID 110142206

IUPAC[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1
InChIInChI=1S/C18H19FN2O3S/c19-13-3-1-4-14(7-13)24-15-8-18(23-10-15)5-2-6-21(11-18)17(22)16-9-20-12-25-16/h1,3-4,7,9,12,15H,2,5-6,8,10-11H2/t15-,18-/m1/s1
InChIKeyPBARHSGTUJYPMC-CRAIPNDOSA-N
MW362.43 g/mol
LogP3.12
Rot. Bonds3

About [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone

[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 110142206) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID110142206
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1
InChIInChI=1S/C18H19FN2O3S/c19-13-3-1-4-14(7-13)24-15-8-18(23-10-15)5-2-6-21(11-18)17(22)16-9-20-12-25-16/h1,3-4,7,9,12,15H,2,5-6,8,10-11H2/t15-,18-/m1/s1
InChIKeyPBARHSGTUJYPMC-CRAIPNDOSA-N
XLogP3.12
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110148969
[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 155986963
pyridin-4-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409097
pyridin-4-yl-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409098
pyridin-3-yl-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 134071304
N-[(2R)-2-fluoro-1-[(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
CID 129458138
furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97488964
pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97371619
(1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97476687
[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 110141985
(3S,5S)-N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97371636
[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 110141838

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone (CID 110142206) is [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1.
What is the InChIKey of [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is PBARHSGTUJYPMC-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-13-3-1-4-14(7-13)24-15-8-18(23-10-15)5-2-6-21(11-18)17(22)16-9-20-12-25-16/h1,3-4,7,9,12,15H,2,5-6,8,10-11H2/t15-,18-/m1/s1.
What are the key properties of [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone?
[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110142206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).