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

C15H12FN3O2 — CID 137462937

IUPAC5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCc1cc(-c2ccc(C3=NNC(=O)OC3)cc2F)ccn1
InChIInChI=1S/C15H12FN3O2/c1-9-6-10(4-5-17-9)12-3-2-11(7-13(12)16)14-8-21-15(20)19-18-14/h2-7H,8H2,1H3,(H,19,20)
InChIKeyQOGKRGJVBODBRF-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.64
Rot. Bonds2

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

5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462937) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462937
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCc1cc(-c2ccc(C3=NNC(=O)OC3)cc2F)ccn1
InChIInChI=1S/C15H12FN3O2/c1-9-6-10(4-5-17-9)12-3-2-11(7-13(12)16)14-8-21-15(20)19-18-14/h2-7H,8H2,1H3,(H,19,20)
InChIKeyQOGKRGJVBODBRF-UHFFFAOYSA-N
XLogP2.64
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US11427553, Example 184
CID 137462808
US11427553, Example 166
CID 137462851
US11427553, Example 165
CID 137462899
US11427553, Example 182
CID 137462969
US11427553, Example 167
CID 137463006
US11427553, Example 36
CID 137462669
US11427553, Example 95
CID 137462718
US11427553, Example 108
CID 137462720
US11427553, Example 77
CID 137462738
US11427553, Example 158
CID 137462760
US11427553, Example 33
CID 137462777
US11427553, Example 32
CID 137462806

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462937) is 5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is Cc1cc(-c2ccc(C3=NNC(=O)OC3)cc2F)ccn1.
What is the InChIKey of 5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is QOGKRGJVBODBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-9-6-10(4-5-17-9)12-3-2-11(7-13(12)16)14-8-21-15(20)19-18-14/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 285.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).