6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one

C22H20F3NO3 — CID 18795514

IUPAC6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)c2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C22H20F3NO3/c1-14-18(15-8-5-4-6-9-15)20(28)26(13-29-14)21(2,3)19(27)16-10-7-11-17(12-16)22(23,24)25/h4-12H,13H2,1-3H3
InChIKeyCGJAINQHBHKDFO-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.91
Rot. Bonds4

About 6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one

6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 18795514) has the molecular formula C22H20F3NO3 and a molecular weight of 403.40 g/mol. Its IUPAC name is 6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID18795514
Molecular FormulaC22H20F3NO3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)c2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C22H20F3NO3/c1-14-18(15-8-5-4-6-9-15)20(28)26(13-29-14)21(2,3)19(27)16-10-7-11-17(12-16)22(23,24)25/h4-12H,13H2,1-3H3
InChIKeyCGJAINQHBHKDFO-UHFFFAOYSA-N
XLogP4.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[1-(3,5-dimethylbenzoyl)cyclohexyl]-2,2,2-trifluoroacetamide
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N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide
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CID 56588495
Phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 2740734
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CID 138963293
N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
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N-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 176433691
2-oxo-2-phenyl-N-(2-phenylethyl)-N-(trifluoromethyl)acetamide
CID 176438336
(E)-1-(4-benzoylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
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N-Ethylnorpentedrone TFA derivative
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one (CID 18795514) is 6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one is CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)c2cccc(C(F)(F)F)c2)CO1.
What is the InChIKey of 6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is CGJAINQHBHKDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO3/c1-14-18(15-8-5-4-6-9-15)20(28)26(13-29-14)21(2,3)19(27)16-10-7-11-17(12-16)22(23,24)25/h4-12H,13H2,1-3H3.
What are the key properties of 6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one?
6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 403.40 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 18795514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).