ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate

C17H20FNO4 — CID 86755276

IUPACethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)N1COC(C)=C(c2ccccc2F)C1=O
InChIInChI=1S/C17H20FNO4/c1-5-22-16(21)17(3,4)19-10-23-11(2)14(15(19)20)12-8-6-7-9-13(12)18/h6-9H,5,10H2,1-4H3
InChIKeyGXHGEOZUMGQDCZ-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.71
Rot. Bonds4

About ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate

ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate (PubChem CID 86755276) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate
PubChem CID86755276
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC Nameethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)N1COC(C)=C(c2ccccc2F)C1=O
InChIInChI=1S/C17H20FNO4/c1-5-22-16(21)17(3,4)19-10-23-11(2)14(15(19)20)12-8-6-7-9-13(12)18/h6-9H,5,10H2,1-4H3
InChIKeyGXHGEOZUMGQDCZ-UHFFFAOYSA-N
XLogP2.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl [3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetate
CID 665123
2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3(4H)-yl]-2-methylpropanoic acid
CID 36995404
Sarcosine, N-(4-fluorobenzoyl)-, propyl ester
CID 91711893
Sarcosine, N-(2-fluorobenzoyl)-, propyl ester
CID 91711904
Sarcosine, N-(3-fluorobenzoyl)-, propyl ester
CID 91711905
Ethyl 2-[(2-oxo-2-phenylacetyl)-(trifluoromethyl)amino]acetate
CID 176438392
Methyl 2-[(2,5-difluorobenzoyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 53596809
Ethyl 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]-2-methylpropanoate
CID 53601169
Ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate
CID 75405903
methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate
CID 95299216
Ethyl 1-(3-fluorobenzoyl)-2-methylpiperidine-2-carboxylate
CID 132466838
Ethyl 1-(2,6-difluorobenzoyl)-2-methylpiperidine-2-carboxylate
CID 132467880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate (CID 86755276) is ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)N1COC(C)=C(c2ccccc2F)C1=O.
What is the InChIKey of ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate?
The InChIKey is GXHGEOZUMGQDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4/c1-5-22-16(21)17(3,4)19-10-23-11(2)14(15(19)20)12-8-6-7-9-13(12)18/h6-9H,5,10H2,1-4H3.
What are the key properties of ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate?
ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate has a molecular weight of 321.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoate is sourced from PubChem (CID 86755276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).