3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one

C17H14F2N2O2 — CID 58485397

IUPAC3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one
SMILESCC1ON=C(c2ccccc2F)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C17H14F2N2O2/c1-11-17(22)21(10-12-5-4-6-13(18)9-12)16(20-23-11)14-7-2-3-8-15(14)19/h2-9,11H,10H2,1H3
InChIKeyQZUNIHSMEFYPPV-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.07
Rot. Bonds3

About 3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one

3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one (PubChem CID 58485397) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one
PubChem CID58485397
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one
SMILESCC1ON=C(c2ccccc2F)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C17H14F2N2O2/c1-11-17(22)21(10-12-5-4-6-13(18)9-12)16(20-23-11)14-7-2-3-8-15(14)19/h2-9,11H,10H2,1H3
InChIKeyQZUNIHSMEFYPPV-UHFFFAOYSA-N
XLogP3.07
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Fluorophenyl)-6-methyl-4-[(4-methylsulfanylphenyl)methyl]-1,2,4-oxadiazin-5-one
CID 49789873
3-(3-fluorophenyl)-6,6-dimethyl-4H-1,2,4-oxadiazin-5-one
CID 135894585
3-(4-fluorophenyl)-6-methyl-4H-1,2,4-oxadiazin-5-one
CID 136148444
3-[4-(Dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one
CID 58485432
4,6-Dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one
CID 46942959
4-[(3-Fluorophenyl)methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-oxadiazin-5-one
CID 132466103
6-Benzyl-4-[(4-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazin-5-one
CID 132466132
6-Benzyl-4-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazin-5-one
CID 132466156
4-Benzyl-3-(4-fluorophenyl)-6,6-dimethyl-1,2,4-oxadiazin-5-one
CID 132466161
3-Benzyl-4-[(2-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one
CID 132466430
3-(4-Fluorophenyl)-4-methyl-1,2,4-oxadiazin-5-one
CID 132466623
3-(2-Fluorophenyl)-4,6-dimethyl-1,2,4-oxadiazin-5-one
CID 132466874

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one?
The IUPAC name of 3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one (CID 58485397) is 3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one.
What is the SMILES notation for 3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one?
The canonical SMILES for 3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one is CC1ON=C(c2ccccc2F)N(Cc2cccc(F)c2)C1=O.
What is the InChIKey of 3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one?
The InChIKey is QZUNIHSMEFYPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-11-17(22)21(10-12-5-4-6-13(18)9-12)16(20-23-11)14-7-2-3-8-15(14)19/h2-9,11H,10H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one?
3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one has a molecular weight of 316.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one is sourced from PubChem (CID 58485397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).