5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine

C18H20FN3O2 — CID 59262449

IUPAC5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
SMILESCOc1ccc(F)c(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1
InChIInChI=1S/C18H20FN3O2/c1-18(11-24-22(2)17(20)21-18)13-6-4-5-12(9-13)15-10-14(23-3)7-8-16(15)19/h4-10H,11H2,1-3H3,(H2,20,21)
InChIKeyHXXXGHKXEHFTAA-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.91
Rot. Bonds3

About 5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine

5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine (PubChem CID 59262449) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine.

Molecular Properties

Compound Name5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
PubChem CID59262449
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
SMILESCOc1ccc(F)c(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1
InChIInChI=1S/C18H20FN3O2/c1-18(11-24-22(2)17(20)21-18)13-6-4-5-12(9-13)15-10-14(23-3)7-8-16(15)19/h4-10H,11H2,1-3H3,(H2,20,21)
InChIKeyHXXXGHKXEHFTAA-UHFFFAOYSA-N
XLogP2.91
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine with MolForge

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Related Compounds

2-[3-(3-Methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine
CID 71681471
5-[3-(3-Methoxyphenyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 71683044
2-[3-(3-Methoxyphenyl)phenyl]-2,5-dimethylimidazol-4-amine
CID 49869035
4-[4-fluoro-3-(3-methoxyphenyl)phenyl]-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine
CID 44193110
4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine
CID 44193206
4-[4-(difluoromethoxy)-3-methylphenyl]-4-[4-fluoro-3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine
CID 44193208
4-[4-(difluoromethoxy)-2-methylphenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine
CID 44193302
2-amino-6-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 57607329
4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-4-[4-methoxy-3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine
CID 57825004
4-[3-(2-fluoro-3-methoxyphenyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine
CID 57825079
4-phenyl-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]-5H-1,3-oxazol-2-amine
CID 57825092
4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-4-phenyl-5H-1,3-oxazol-2-amine
CID 57825110

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
The IUPAC name of 5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine (CID 59262449) is 5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine.
What is the SMILES notation for 5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
The canonical SMILES for 5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine is COc1ccc(F)c(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1.
What is the InChIKey of 5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
The InChIKey is HXXXGHKXEHFTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-18(11-24-22(2)17(20)21-18)13-6-4-5-12(9-13)15-10-14(23-3)7-8-16(15)19/h4-10H,11H2,1-3H3,(H2,20,21).
What are the key properties of 5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine has a molecular weight of 329.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine is sourced from PubChem (CID 59262449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).