3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one

C20H21NO3 — CID 132969075

IUPAC3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one
SMILESCOc1ccc([C@H](C)N2C(=O)C=C(C)OC2c2ccccc2)cc1
InChIInChI=1S/C20H21NO3/c1-14-13-19(22)21(20(24-14)17-7-5-4-6-8-17)15(2)16-9-11-18(23-3)12-10-16/h4-13,15,20H,1-3H3/t15-,20?/m0/s1
InChIKeyFPWHSVDVKGVWRY-OOJLDXBWSA-N
MW323.39 g/mol
LogP4.22
Rot. Bonds4

About 3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one

3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one (PubChem CID 132969075) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one
PubChem CID132969075
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one
SMILESCOc1ccc([C@H](C)N2C(=O)C=C(C)OC2c2ccccc2)cc1
InChIInChI=1S/C20H21NO3/c1-14-13-19(22)21(20(24-14)17-7-5-4-6-8-17)15(2)16-9-11-18(23-3)12-10-16/h4-13,15,20H,1-3H3/t15-,20?/m0/s1
InChIKeyFPWHSVDVKGVWRY-OOJLDXBWSA-N
XLogP4.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one with MolForge

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Related Compounds

2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 143147910
1-[1-(4-methoxyphenyl)ethyl]pyridin-2-one
CID 102218490
(2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one
CID 7311784
1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 66243258
2-[1-(4-methoxyphenyl)ethyl]-4-methyl-3-oxo-1H-isoindole-1-carbonitrile
CID 110448100
(4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 134926070
(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one
CID 54028985
(3aR,6aS)-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]-4,6a-dihydro-3aH-furo[3,4-d]imidazole-2,6-dione
CID 67909427
(2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide
CID 11087311
(3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one
CID 132820348
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10597583
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one (CID 132969075) is 3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one is COc1ccc([C@H](C)N2C(=O)C=C(C)OC2c2ccccc2)cc1.
What is the InChIKey of 3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is FPWHSVDVKGVWRY-OOJLDXBWSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14-13-19(22)21(20(24-14)17-7-5-4-6-8-17)15(2)16-9-11-18(23-3)12-10-16/h4-13,15,20H,1-3H3/t15-,20?/m0/s1.
What are the key properties of 3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one?
3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 323.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 132969075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).