2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one

C13H11FN2O3 — CID 71731018

IUPAC2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(COc3cccc(F)c3)oc21
InChIInChI=1S/C13H11FN2O3/c14-8-2-1-3-9(6-8)18-7-11-16-10-4-5-15-13(17)12(10)19-11/h1-3,6H,4-5,7H2,(H,15,17)
InChIKeyYAJTUOQQIUNQRF-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.68
Rot. Bonds3

About 2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one

2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one (PubChem CID 71731018) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one
PubChem CID71731018
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(COc3cccc(F)c3)oc21
InChIInChI=1S/C13H11FN2O3/c14-8-2-1-3-9(6-8)18-7-11-16-10-4-5-15-13(17)12(10)19-11/h1-3,6H,4-5,7H2,(H,15,17)
InChIKeyYAJTUOQQIUNQRF-UHFFFAOYSA-N
XLogP1.68
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one with MolForge

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Related Compounds

VU0409551
CID 56846694
[2-[(3-Fluorophenoxy)methyl]-6,7-dihydrooxazolo[5,4-c]pyridin-5(4H)-yl](4-fluorophenyl)methanone
CID 66608383
(3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 66608640
(2,3-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 66608716
[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 66609011
[2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone
CID 66609033
[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone
CID 66609115
(3,5-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 66609338
[2-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone
CID 66609382
(2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 122186362
(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 122186363
[4,4-Dimethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone
CID 122186364

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one (CID 71731018) is 2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one is O=C1NCCc2nc(COc3cccc(F)c3)oc21.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one?
The InChIKey is YAJTUOQQIUNQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-8-2-1-3-9(6-8)18-7-11-16-10-4-5-15-13(17)12(10)19-11/h1-3,6H,4-5,7H2,(H,15,17).
What are the key properties of 2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one?
2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one has a molecular weight of 262.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 71731018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).