5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one

C21H21F2NO3 — CID 18795508

IUPAC5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)C(O)c2ccc(F)cc2)CO1
InChIInChI=1S/C21H21F2NO3/c1-13-18(16-6-4-5-7-17(16)23)20(26)24(12-27-13)21(2,3)19(25)14-8-10-15(22)11-9-14/h4-11,19,25H,12H2,1-3H3
InChIKeyWTOLDDJFNNVAGJ-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.02
Rot. Bonds4

About 5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one

5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one (PubChem CID 18795508) has the molecular formula C21H21F2NO3 and a molecular weight of 373.40 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one
PubChem CID18795508
Molecular FormulaC21H21F2NO3
Molecular Weight373.40 g/mol
Exact Mass373.15
IUPAC Name5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)C(O)c2ccc(F)cc2)CO1
InChIInChI=1S/C21H21F2NO3/c1-13-18(16-6-4-5-7-17(16)23)20(26)24(12-27-13)21(2,3)19(25)14-8-10-15(22)11-9-14/h4-11,19,25H,12H2,1-3H3
InChIKeyWTOLDDJFNNVAGJ-UHFFFAOYSA-N
XLogP4.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 24761779
CID 24761779
CID 122187187
CID 122187187
CID 15337649
CID 15337649
CID 53530310
CID 53530310
CID 56812942
CID 56812942
CID 2851354
CID 2851354
CID 11370086
CID 11370086
CID 15306469
CID 15306469
CID 15357555
CID 15357555
CID 101181604
CID 101181604
CID 134917699
CID 134917699
CID 134917856
CID 134917856

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one?
The IUPAC name of 5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one (CID 18795508) is 5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one is CC1=C(c2ccccc2F)C(=O)N(C(C)(C)C(O)c2ccc(F)cc2)CO1.
What is the InChIKey of 5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one?
The InChIKey is WTOLDDJFNNVAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO3/c1-13-18(16-6-4-5-7-17(16)23)20(26)24(12-27-13)21(2,3)19(25)14-8-10-15(22)11-9-14/h4-11,19,25H,12H2,1-3H3.
What are the key properties of 5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one?
5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one has a molecular weight of 373.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 18795508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).