[(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone

C19H22FN3O4 — CID 124794717

IUPAC[(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
SMILESO=C(c1cocn1)N1CCC2(CC1)OCC[C@@H]2CCOc1ncccc1F
InChIInChI=1S/C19H22FN3O4/c20-15-2-1-7-21-17(15)26-10-3-14-4-11-27-19(14)5-8-23(9-6-19)18(24)16-12-25-13-22-16/h1-2,7,12-14H,3-6,8-11H2/t14-/m0/s1
InChIKeySQJKUOSXISCIMD-AWEZNQCLSA-N
MW375.40 g/mol
LogP2.69
Rot. Bonds5

About [(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone

[(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone (PubChem CID 124794717) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is [(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
PubChem CID124794717
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name[(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
SMILESO=C(c1cocn1)N1CCC2(CC1)OCC[C@@H]2CCOc1ncccc1F
InChIInChI=1S/C19H22FN3O4/c20-15-2-1-7-21-17(15)26-10-3-14-4-11-27-19(14)5-8-23(9-6-19)18(24)16-12-25-13-22-16/h1-2,7,12-14H,3-6,8-11H2/t14-/m0/s1
InChIKeySQJKUOSXISCIMD-AWEZNQCLSA-N
XLogP2.69
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-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 51
CID 90431245
US9617282, Example 104
CID 118636255
2-[1-(1,3-Oxazole-4-carbonyl)-4-[(pyridin-4-yloxy)methyl]pyrrolidin-3-YL]pyridine
CID 124051407
2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 25299549

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone?
The IUPAC name of [(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone (CID 124794717) is [(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone is O=C(c1cocn1)N1CCC2(CC1)OCC[C@@H]2CCOc1ncccc1F.
What is the InChIKey of [(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone?
The InChIKey is SQJKUOSXISCIMD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN3O4/c20-15-2-1-7-21-17(15)26-10-3-14-4-11-27-19(14)5-8-23(9-6-19)18(24)16-12-25-13-22-16/h1-2,7,12-14H,3-6,8-11H2/t14-/m0/s1.
What are the key properties of [(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone?
[(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone has a molecular weight of 375.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 124794717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).