4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one

C14H17NO3 — CID 11701529

IUPAC4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one
SMILESC=C1OC(=O)N(c2ccc(OC)cc2)C1(C)CC
InChIInChI=1S/C14H17NO3/c1-5-14(3)10(2)18-13(16)15(14)11-6-8-12(17-4)9-7-11/h6-9H,2,5H2,1,3-4H3
InChIKeyBJPFXBUBHAJIKL-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.33
Rot. Bonds3

About 4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one

4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one (PubChem CID 11701529) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one
PubChem CID11701529
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one
SMILESC=C1OC(=O)N(c2ccc(OC)cc2)C1(C)CC
InChIInChI=1S/C14H17NO3/c1-5-14(3)10(2)18-13(16)15(14)11-6-8-12(17-4)9-7-11/h6-9H,2,5H2,1,3-4H3
InChIKeyBJPFXBUBHAJIKL-UHFFFAOYSA-N
XLogP3.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 141228935
(4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 44596536
(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one
CID 10655761
5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 65444998
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
(4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 10402014
1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile
CID 57328295
(3aR,4R,6S,7aR)-4-chloro-3-(4-methoxyphenyl)-3a-methyl-6-prop-1-en-2-yl-5,6,7,7a-tetrahydro-4H-1,3-benzoxazol-2-one
CID 132544968
4-(4-methoxyphenyl)-2,2-dimethyl-1,4-benzoxazin-3-one
CID 141180829
4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010945
6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one (CID 11701529) is 4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one is C=C1OC(=O)N(c2ccc(OC)cc2)C1(C)CC.
What is the InChIKey of 4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one?
The InChIKey is BJPFXBUBHAJIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-5-14(3)10(2)18-13(16)15(14)11-6-8-12(17-4)9-7-11/h6-9H,2,5H2,1,3-4H3.
What are the key properties of 4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one?
4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 11701529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).