3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one

C16H13FN2O3 — CID 159222527

IUPAC3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one
SMILESCOc1cc(-c2ccc(C3=NCC(=O)OC3)cc2F)ccn1
InChIInChI=1S/C16H13FN2O3/c1-21-15-7-10(4-5-18-15)12-3-2-11(6-13(12)17)14-9-22-16(20)8-19-14/h2-7H,8-9H2,1H3
InChIKeyKRWLFFRQOSRPFS-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.24
Rot. Bonds3

About 3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one

3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one (PubChem CID 159222527) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one
PubChem CID159222527
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one
SMILESCOc1cc(-c2ccc(C3=NCC(=O)OC3)cc2F)ccn1
InChIInChI=1S/C16H13FN2O3/c1-21-15-7-10(4-5-18-15)12-3-2-11(6-13(12)17)14-9-22-16(20)8-19-14/h2-7H,8-9H2,1H3
InChIKeyKRWLFFRQOSRPFS-UHFFFAOYSA-N
XLogP2.24
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one?
The IUPAC name of 3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one (CID 159222527) is 3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for 3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one?
The canonical SMILES for 3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one is COc1cc(-c2ccc(C3=NCC(=O)OC3)cc2F)ccn1.
What is the InChIKey of 3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one?
The InChIKey is KRWLFFRQOSRPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-21-15-7-10(4-5-18-15)12-3-2-11(6-13(12)17)14-9-22-16(20)8-19-14/h2-7H,8-9H2,1H3.
What are the key properties of 3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one?
3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one has a molecular weight of 300.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 159222527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).