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

C15H12FN3O3 — CID 137462718

IUPAC5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCOc1cc(-c2ccc(C3=NNC(=O)OC3)cc2F)ccn1
InChIInChI=1S/C15H12FN3O3/c1-21-14-7-9(4-5-17-14)11-3-2-10(6-12(11)16)13-8-22-15(20)19-18-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyMPLMOLGTXPCMIJ-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.34
Rot. Bonds3

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

5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462718) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462718
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCOc1cc(-c2ccc(C3=NNC(=O)OC3)cc2F)ccn1
InChIInChI=1S/C15H12FN3O3/c1-21-14-7-9(4-5-17-14)11-3-2-10(6-12(11)16)13-8-22-15(20)19-18-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyMPLMOLGTXPCMIJ-UHFFFAOYSA-N
XLogP2.34
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one with MolForge

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Related Compounds

3-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-2,5-dihydro-1,4-oxazin-6-one
CID 159222527
5-[3-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462897
5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462652
5-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462743
5-[4-[4-(methylamino)phenyl]-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462992
5-[3-(trifluoromethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462669
4-(2-fluoro-3-methylphenyl)-2-methoxypyridine
CID 178155180
3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137465198
5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462974
5-[4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137463003
4-(2,4-dimethylphenyl)-2-methoxypyridine
CID 90207417
5-[4-(2-methoxypropylamino)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462712

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462718) is 5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is COc1cc(-c2ccc(C3=NNC(=O)OC3)cc2F)ccn1.
What is the InChIKey of 5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is MPLMOLGTXPCMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-21-14-7-9(4-5-17-14)11-3-2-10(6-12(11)16)13-8-22-15(20)19-18-13/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 301.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).