5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione

C12H13NO4 — CID 82098506

IUPAC5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCCC1(c2ccc(OC)cc2)OC(=O)NC1=O
InChIInChI=1S/C12H13NO4/c1-3-12(10(14)13-11(15)17-12)8-4-6-9(16-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeyNVQADBPQCJQZID-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.57
Rot. Bonds3

About 5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione

5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione (PubChem CID 82098506) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione
PubChem CID82098506
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCCC1(c2ccc(OC)cc2)OC(=O)NC1=O
InChIInChI=1S/C12H13NO4/c1-3-12(10(14)13-11(15)17-12)8-4-6-9(16-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeyNVQADBPQCJQZID-UHFFFAOYSA-N
XLogP1.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(4-methoxyphenyl)oxirane
CID 62772995
(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one
CID 102142146
3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one
CID 126473327
5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one
CID 15326684
5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole
CID 141059352
(5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 11993735
(1R,5S)-1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719822
methyl 3-ethyl-3-(4-methoxyphenyl)-2-methyloxirane-2-carboxylate
CID 66437616
3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine
CID 65004013
(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
CID 105445465
5-[(4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione
CID 54342646
4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one
CID 11701529

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione (CID 82098506) is 5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione is CCC1(c2ccc(OC)cc2)OC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is NVQADBPQCJQZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-3-12(10(14)13-11(15)17-12)8-4-6-9(16-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione?
5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 82098506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).