[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone

C19H21FN2O4 — CID 154582285

IUPAC[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CC2(CC(CCOCc3ccccc3F)CO2)C1
InChIInChI=1S/C19H21FN2O4/c20-16-4-2-1-3-15(16)11-24-8-6-14-9-19(25-10-14)12-22(13-19)18(23)17-5-7-21-26-17/h1-5,7,14H,6,8-13H2
InChIKeyWSOQVUXUBAGHNS-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.65
Rot. Bonds6

About [7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone

[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 154582285) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is [7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID154582285
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CC2(CC(CCOCc3ccccc3F)CO2)C1
InChIInChI=1S/C19H21FN2O4/c20-16-4-2-1-3-15(16)11-24-8-6-14-9-19(25-10-14)12-22(13-19)18(23)17-5-7-21-26-17/h1-5,7,14H,6,8-13H2
InChIKeyWSOQVUXUBAGHNS-UHFFFAOYSA-N
XLogP2.65
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone (CID 154582285) is [7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone is O=C(c1ccno1)N1CC2(CC(CCOCc3ccccc3F)CO2)C1.
What is the InChIKey of [7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is WSOQVUXUBAGHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c20-16-4-2-1-3-15(16)11-24-8-6-14-9-19(25-10-14)12-22(13-19)18(23)17-5-7-21-26-17/h1-5,7,14H,6,8-13H2.
What are the key properties of [7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone?
[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 360.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 154582285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).