3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

C15H16FNO3 — CID 142734620

IUPAC3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
SMILESCOc1ccc(C2OCC3C4C(C(=O)N23)C4(C)F)cc1
InChIInChI=1S/C15H16FNO3/c1-15(16)11-10-7-20-14(17(10)13(18)12(11)15)8-3-5-9(19-2)6-4-8/h3-6,10-12,14H,7H2,1-2H3
InChIKeyVOKZZIVWVPFICF-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.91
Rot. Bonds2

About 3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one (PubChem CID 142734620) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one.

Molecular Properties

Compound Name3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
PubChem CID142734620
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
SMILESCOc1ccc(C2OCC3C4C(C(=O)N23)C4(C)F)cc1
InChIInChI=1S/C15H16FNO3/c1-15(16)11-10-7-20-14(17(10)13(18)12(11)15)8-3-5-9(19-2)6-4-8/h3-6,10-12,14H,7H2,1-2H3
InChIKeyVOKZZIVWVPFICF-UHFFFAOYSA-N
XLogP1.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one with MolForge

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Related Compounds

(3R,7aS)-6-fluoro-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414570
6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734609
3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 15202863
(3R,7aS)-6-methoxy-3-(4-methoxyphenyl)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
CID 155671104
4-(4-methoxyphenyl)-2-methyloxolane
CID 173252493
(2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine
CID 102477659
1-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethanone
CID 11031862
2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 13478629
2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine
CID 101429995
(6R)-6-(4-methoxyphenyl)-3,3,5,5-tetramethyloxane-2,4-dione
CID 723175
(3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one
CID 101417373
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The IUPAC name of 3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one (CID 142734620) is 3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one.
What is the SMILES notation for 3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The canonical SMILES for 3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one is COc1ccc(C2OCC3C4C(C(=O)N23)C4(C)F)cc1.
What is the InChIKey of 3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The InChIKey is VOKZZIVWVPFICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-15(16)11-10-7-20-14(17(10)13(18)12(11)15)8-3-5-9(19-2)6-4-8/h3-6,10-12,14H,7H2,1-2H3.
What are the key properties of 3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one has a molecular weight of 277.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one is sourced from PubChem (CID 142734620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).