[8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone

C17H18FN3O4 — CID 133139365

IUPAC[8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone
SMILESO=C(c1cocn1)N1CC2(C1)OCCC2CCOc1ncccc1F
InChIInChI=1S/C17H18FN3O4/c18-13-2-1-5-19-15(13)24-6-3-12-4-7-25-17(12)9-21(10-17)16(22)14-8-23-11-20-14/h1-2,5,8,11-12H,3-4,6-7,9-10H2
InChIKeyNNEJOPSDEVDAIJ-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.91
Rot. Bonds5

About [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone

[8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone (PubChem CID 133139365) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone
PubChem CID133139365
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name[8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone
SMILESO=C(c1cocn1)N1CC2(C1)OCCC2CCOc1ncccc1F
InChIInChI=1S/C17H18FN3O4/c18-13-2-1-5-19-15(13)24-6-3-12-4-7-25-17(12)9-21(10-17)16(22)14-8-23-11-20-14/h1-2,5,8,11-12H,3-4,6-7,9-10H2
InChIKeyNNEJOPSDEVDAIJ-UHFFFAOYSA-N
XLogP1.91
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

US9617282, Example 53
CID 86299716
US9617282, Example 54
CID 86299717
[(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone
CID 97421085
[(3aS,6aS)-3a-(pyridin-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(1,3-oxazol-4-yl)methanone
CID 97421612
[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(1,3-oxazol-4-yl)methanone
CID 97422679
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-oxazol-4-yl)methanone
CID 97423051
1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 118743041
1,3-Oxazol-4-yl-[3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 118743089
US9617282, Example 104
CID 118636255
N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(4-pyridinylmethyl)-1,3-oxazole-4-carboxamide
CID 42239791
2-[(3-fluorophenoxy)methyl]-N-methyl-N-(3-pyridinylmethyl)-1,3-oxazole-4-carboxamide
CID 42293300
1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 118743040

Frequently Asked Questions

What is the IUPAC name of [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone?
The IUPAC name of [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone (CID 133139365) is [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone?
The canonical SMILES for [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone is O=C(c1cocn1)N1CC2(C1)OCCC2CCOc1ncccc1F.
What is the InChIKey of [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone?
The InChIKey is NNEJOPSDEVDAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c18-13-2-1-5-19-15(13)24-6-3-12-4-7-25-17(12)9-21(10-17)16(22)14-8-23-11-20-14/h1-2,5,8,11-12H,3-4,6-7,9-10H2.
What are the key properties of [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone?
[8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone has a molecular weight of 347.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 133139365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).