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

C24H23F2NO5 — CID 22118348

IUPACethyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate
SMILESCCOC(=O)CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)c2cc(F)cc(F)c2)CO1
InChIInChI=1S/C24H23F2NO5/c1-4-31-20(28)13-19-21(15-8-6-5-7-9-15)23(30)27(14-32-19)24(2,3)22(29)16-10-17(25)12-18(26)11-16/h5-12H,4,13-14H2,1-3H3
InChIKeyTXHAFMUBGRSCRD-UHFFFAOYSA-N
MW443.45 g/mol
LogP4.11
Rot. Bonds7

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

ethyl 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 22118348) has the molecular formula C24H23F2NO5 and a molecular weight of 443.45 g/mol. Its IUPAC name is ethyl 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 Nameethyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate
PubChem CID22118348
Molecular FormulaC24H23F2NO5
Molecular Weight443.45 g/mol
Exact Mass443.15
IUPAC Nameethyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate
SMILESCCOC(=O)CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)c2cc(F)cc(F)c2)CO1
InChIInChI=1S/C24H23F2NO5/c1-4-31-20(28)13-19-21(15-8-6-5-7-9-15)23(30)27(14-32-19)24(2,3)22(29)16-10-17(25)12-18(26)11-16/h5-12H,4,13-14H2,1-3H3
InChIKeyTXHAFMUBGRSCRD-UHFFFAOYSA-N
XLogP4.11
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 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 ethyl 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 ethyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate (CID 22118348) is ethyl 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 ethyl 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 ethyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate is CCOC(=O)CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)c2cc(F)cc(F)c2)CO1.
What is the InChIKey of ethyl 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 TXHAFMUBGRSCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO5/c1-4-31-20(28)13-19-21(15-8-6-5-7-9-15)23(30)27(14-32-19)24(2,3)22(29)16-10-17(25)12-18(26)11-16/h5-12H,4,13-14H2,1-3H3.
What are the key properties of ethyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate?
ethyl 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 443.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 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 22118348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).