5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one

C14H17NO3 — CID 175926210

IUPAC5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC=CC1OC(=O)N(Cc2ccc(OC)cc2)C1C
InChIInChI=1S/C14H17NO3/c1-4-13-10(2)15(14(16)18-13)9-11-5-7-12(17-3)8-6-11/h4-8,10,13H,1,9H2,2-3H3
InChIKeyDZWWZSNAUVGLBF-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.59
Rot. Bonds4

About 5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one

5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 175926210) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID175926210
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC=CC1OC(=O)N(Cc2ccc(OC)cc2)C1C
InChIInChI=1S/C14H17NO3/c1-4-13-10(2)15(14(16)18-13)9-11-5-7-12(17-3)8-6-11/h4-8,10,13H,1,9H2,2-3H3
InChIKeyDZWWZSNAUVGLBF-UHFFFAOYSA-N
XLogP2.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 129249020
methyl 2-[(4S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidin-5-yl]acetate;sulfane
CID 159731905
1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one
CID 102168019
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one
CID 13095133
1-but-3-enyl-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
CID 163351485
1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
CID 134307745
(6R)-1-[(4-methoxyphenyl)methyl]-2,5,6-trimethyl-5,6-dihydro-2H-1,4-diazepin-7-one
CID 90069388
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913
6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64872498
2-[(2R)-1-[(4-methoxyphenyl)methyl]-4-oxoazetidin-2-yl]acetaldehyde
CID 14543427
4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 146157496

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (CID 175926210) is 5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is C=CC1OC(=O)N(Cc2ccc(OC)cc2)C1C.
What is the InChIKey of 5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is DZWWZSNAUVGLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-13-10(2)15(14(16)18-13)9-11-5-7-12(17-3)8-6-11/h4-8,10,13H,1,9H2,2-3H3.
What are the key properties of 5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 175926210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).