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

C23H20FNO2 — CID 25181744

IUPAC3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2cccc(-c3ccccc3F)c2)C(=O)O1
InChIInChI=1S/C23H20FNO2/c1-23(18-9-3-2-4-10-18)14-15-25(22(26)27-23)19-11-7-8-17(16-19)20-12-5-6-13-21(20)24/h2-13,16H,14-15H2,1H3
InChIKeyCJOYNVRXISNTHV-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.75
Rot. Bonds3

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

3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one (PubChem CID 25181744) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
PubChem CID25181744
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2cccc(-c3ccccc3F)c2)C(=O)O1
InChIInChI=1S/C23H20FNO2/c1-23(18-9-3-2-4-10-18)14-15-25(22(26)27-23)19-11-7-8-17(16-19)20-12-5-6-13-21(20)24/h2-13,16H,14-15H2,1H3
InChIKeyCJOYNVRXISNTHV-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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Related Compounds

3-(2',4'-Difluorobiphenyl-3-yl)-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
CID 25182275
6-(3,4-difluorophenylamino)-4,4-diethyl-1-methyl-1H-benzo[d][1,3]oxazin-2(4H)-one
CID 24758659
[3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 25120701
3-(2-Chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25147627
6-Allyl-3-(2',4'-difluorobiphenyl-3-yl)-6-phenyl-1,3-oxazinan-2-one
CID 25182139
3-(2',4'-Difluorobiphenyl-3-yl)-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 25182553
3-(4-Chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183173
6-Methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 25183174
3-(Biphenyl-3-yl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183175
3-(3-Bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183312
3-(3-Chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183313
6-Methyl-6-phenyl-3-m-tolyl-1,3-oxazinan-2-one
CID 25183314

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one (CID 25181744) is 3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one is CC1(c2ccccc2)CCN(c2cccc(-c3ccccc3F)c2)C(=O)O1.
What is the InChIKey of 3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is CJOYNVRXISNTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-23(18-9-3-2-4-10-18)14-15-25(22(26)27-23)19-11-7-8-17(16-19)20-12-5-6-13-21(20)24/h2-13,16H,14-15H2,1H3.
What are the key properties of 3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
3-[3-(2-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-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 25181744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).