[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C19H21FN2O4 — CID 110138809

IUPAC[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1
InChIInChI=1S/C19H21FN2O4/c1-13-17(24-12-21-13)18(23)22-7-3-6-19(11-22)9-16(10-25-19)26-15-5-2-4-14(20)8-15/h2,4-5,8,12,16H,3,6-7,9-11H2,1H3/t16-,19-/m1/s1
InChIKeyLIXNEKDEYULZCK-VQIMIIECSA-N
MW360.39 g/mol
LogP2.96
Rot. Bonds3

About [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 110138809) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID110138809
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1
InChIInChI=1S/C19H21FN2O4/c1-13-17(24-12-21-13)18(23)22-7-3-6-19(11-22)9-16(10-25-19)26-15-5-2-4-14(20)8-15/h2,4-5,8,12,16H,3,6-7,9-11H2,1H3/t16-,19-/m1/s1
InChIKeyLIXNEKDEYULZCK-VQIMIIECSA-N
XLogP2.96
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 110138809) is [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)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]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is LIXNEKDEYULZCK-VQIMIIECSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13-17(24-12-21-13)18(23)22-7-3-6-19(11-22)9-16(10-25-19)26-15-5-2-4-14(20)8-15/h2,4-5,8,12,16H,3,6-7,9-11H2,1H3/t16-,19-/m1/s1.
What are the key properties of [(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 360.39 g/mol, XLogP of 2.96, 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]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110138809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).