3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one

C23H20FNO2 — CID 25183604

IUPAC3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2cccc(-c3ccc(F)cc3)c2)C(=O)O1
InChIInChI=1S/C23H20FNO2/c1-23(19-7-3-2-4-8-19)14-15-25(22(26)27-23)21-9-5-6-18(16-21)17-10-12-20(24)13-11-17/h2-13,16H,14-15H2,1H3
InChIKeyGRECFJMRKUEXPU-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.75
Rot. Bonds3

About 3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one

3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one (PubChem CID 25183604) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
PubChem CID25183604
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2cccc(-c3ccc(F)cc3)c2)C(=O)O1
InChIInChI=1S/C23H20FNO2/c1-23(19-7-3-2-4-8-19)14-15-25(22(26)27-23)21-9-5-6-18(16-21)17-10-12-20(24)13-11-17/h2-13,16H,14-15H2,1H3
InChIKeyGRECFJMRKUEXPU-UHFFFAOYSA-N
XLogP5.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one (CID 25183604) is 3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one is CC1(c2ccccc2)CCN(c2cccc(-c3ccc(F)cc3)c2)C(=O)O1.
What is the InChIKey of 3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is GRECFJMRKUEXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-23(19-7-3-2-4-8-19)14-15-25(22(26)27-23)21-9-5-6-18(16-21)17-10-12-20(24)13-11-17/h2-13,16H,14-15H2,1H3.
What are the key properties of 3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 361.42 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 25183604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).