5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione

C12H13NO4 — CID 114239606

IUPAC5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCOc1ccccc1CC1(C)OC(=O)NC1=O
InChIInChI=1S/C12H13NO4/c1-12(10(14)13-11(15)17-12)7-8-5-3-4-6-9(8)16-2/h3-6H,7H2,1-2H3,(H,13,14,15)
InChIKeyXHHNOYLQROZFNR-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.26
Rot. Bonds3

About 5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione

5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 114239606) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID114239606
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCOc1ccccc1CC1(C)OC(=O)NC1=O
InChIInChI=1S/C12H13NO4/c1-12(10(14)13-11(15)17-12)7-8-5-3-4-6-9(8)16-2/h3-6H,7H2,1-2H3,(H,13,14,15)
InChIKeyXHHNOYLQROZFNR-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 117228329
2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
CID 117226883
2-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-oxazolidine
CID 117228325
2-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 66466669
(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 7566809
3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79928571
5-[(2-methoxyphenyl)methyl]-2,2-dimethyl-5-[(2S)-2-methyl-3-oxo-3-phenylpropyl]-1,3-dioxane-4,6-dione
CID 132558672
2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117169594
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7566272
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921805
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 7565917

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione (CID 114239606) is 5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione is COc1ccccc1CC1(C)OC(=O)NC1=O.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is XHHNOYLQROZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-12(10(14)13-11(15)17-12)7-8-5-3-4-6-9(8)16-2/h3-6H,7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione?
5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 114239606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).