5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid

C14H17NO6 — CID 66663546

IUPAC5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid
SMILESC=CC(=O)O.COc1ccccc1OCC1CNC(=O)O1
InChIInChI=1S/C11H13NO4.C3H4O2/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8;1-2-3(4)5/h2-5,8H,6-7H2,1H3,(H,12,13);2H,1H2,(H,4,5)
InChIKeyVYVUZEXGQCERSB-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.44
Rot. Bonds5

About 5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid

5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid (PubChem CID 66663546) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid
PubChem CID66663546
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid
SMILESC=CC(=O)O.COc1ccccc1OCC1CNC(=O)O1
InChIInChI=1S/C11H13NO4.C3H4O2/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8;1-2-3(4)5/h2-5,8H,6-7H2,1H3,(H,12,13);2H,1H2,(H,4,5)
InChIKeyVYVUZEXGQCERSB-UHFFFAOYSA-N
XLogP1.44
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Mephenoxalone
CID 6257
5-((4-Methoxyphenoxy)methyl)-2-oxazolidinone
CID 650874
[2-(2-Isopropoxyphenoxy)ethyl]methylamine oxalate
CID 2949312
N-[2-(2-methoxyphenoxy)propyl]acetamide
CID 49865148
1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, methylcarbamate (ester), oxalate (1:1)
CID 211397
Pyrrolidine, 3-(o-methoxyphenoxy)-1-(2-(o-methoxyphenoxy)ethyl)-, furmarate (1:1)
CID 6445130
1-Pyrrolidine, 3-(o-methoxyphenoxy)-1-(2-phenoxyethyl)-, maleate (1:1)
CID 6445131
1-Propanamine, N,2-dimethyl-3-(2-methoxyphenoxy)-, (Z)-2-butenedioate (1:1)
CID 6447635
1-Propanamine, N,2-dimethyl-3-(2-ethoxyphenoxy)-, (Z)-2-butenedioate (1:1)
CID 6447637
[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetic acid
CID 2771938
5-(Phenoxymethyl)-1,3-oxazolidin-2-one
CID 15717141
N,N'-[1,2-phenylenebis(oxyethane-2,1-diyl)]diacetamide
CID 5305641

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid (CID 66663546) is 5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid is C=CC(=O)O.COc1ccccc1OCC1CNC(=O)O1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid?
The InChIKey is VYVUZEXGQCERSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4.C3H4O2/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8;1-2-3(4)5/h2-5,8H,6-7H2,1H3,(H,12,13);2H,1H2,(H,4,5).
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid?
5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid has a molecular weight of 295.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid is sourced from PubChem (CID 66663546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).