methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate

C23H21F2NO5 — CID 22118274

IUPACmethyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate
SMILESCOC(=O)CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)c2cc(F)cc(F)c2)CO1
InChIInChI=1S/C23H21F2NO5/c1-23(2,21(28)15-9-16(24)11-17(25)10-15)26-13-31-18(12-19(27)30-3)20(22(26)29)14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3
InChIKeyQTXPPZCRQLXDHR-UHFFFAOYSA-N
MW429.42 g/mol
LogP3.72
Rot. Bonds6

About methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate

methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate (PubChem CID 22118274) has the molecular formula C23H21F2NO5 and a molecular weight of 429.42 g/mol. Its IUPAC name is methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate
PubChem CID22118274
Molecular FormulaC23H21F2NO5
Molecular Weight429.42 g/mol
Exact Mass429.14
IUPAC Namemethyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate
SMILESCOC(=O)CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)c2cc(F)cc(F)c2)CO1
InChIInChI=1S/C23H21F2NO5/c1-23(2,21(28)15-9-16(24)11-17(25)10-15)26-13-31-18(12-19(27)30-3)20(22(26)29)14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3
InChIKeyQTXPPZCRQLXDHR-UHFFFAOYSA-N
XLogP3.72
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate with MolForge

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Related Compounds

6-methyl-5-phenyl-3-(7,7,7-trifluoro-2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one
CID 18795453
6-methyl-3-[2-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one
CID 18795455
3-[1-(4-fluoro-3-methylphenyl)-2-methyl-1-oxopropan-2-yl]-5-(2-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one
CID 18795469
3-[4-(3,5-difluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795471
5-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-6-methyl-2H-1,3-oxazin-4-one
CID 18795476
5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one
CID 18795480
3-[1-(4-fluoro-3-methylphenyl)-2-methyl-1-oxopropan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795485
5-(2-fluorophenyl)-6-methyl-3-[2-methyl-1-(2-methylphenyl)-1-oxopropan-2-yl]-2H-1,3-oxazin-4-one
CID 18795489
3-[1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-oxopropan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795500
3-[4-(2,5-difluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795501
3-[4-(2,4-difluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795502
6-methyl-3-[2-methyl-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one
CID 18795514

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate?
The IUPAC name of methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate (CID 22118274) is methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate.
What is the SMILES notation for methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate?
The canonical SMILES for methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate is COC(=O)CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)c2cc(F)cc(F)c2)CO1.
What is the InChIKey of methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate?
The InChIKey is QTXPPZCRQLXDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO5/c1-23(2,21(28)15-9-16(24)11-17(25)10-15)26-13-31-18(12-19(27)30-3)20(22(26)29)14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3.
What are the key properties of methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate?
methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate has a molecular weight of 429.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate is sourced from PubChem (CID 22118274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).