2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid

C12H13NO5 — CID 115003677

IUPAC2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
SMILESCOc1cccc(N2CC(CC(=O)O)OC2=O)c1
InChIInChI=1S/C12H13NO5/c1-17-9-4-2-3-8(5-9)13-7-10(6-11(14)15)18-12(13)16/h2-5,10H,6-7H2,1H3,(H,14,15)
InChIKeyOFRIIAIYLYEBBO-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.50
Rot. Bonds4

About 2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid

2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid (PubChem CID 115003677) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
PubChem CID115003677
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
SMILESCOc1cccc(N2CC(CC(=O)O)OC2=O)c1
InChIInChI=1S/C12H13NO5/c1-17-9-4-2-3-8(5-9)13-7-10(6-11(14)15)18-12(13)16/h2-5,10H,6-7H2,1H3,(H,14,15)
InChIKeyOFRIIAIYLYEBBO-UHFFFAOYSA-N
XLogP1.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenoxypropanamide
CID 110327898
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanesulfonamide
CID 16922720
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060005
4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 16922728
2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327902
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110327915
3,5-dimethoxy-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327773
2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16921888
2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid
CID 82394690
methyl N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 110327805

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
The IUPAC name of 2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid (CID 115003677) is 2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid is COc1cccc(N2CC(CC(=O)O)OC2=O)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
The InChIKey is OFRIIAIYLYEBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-17-9-4-2-3-8(5-9)13-7-10(6-11(14)15)18-12(13)16/h2-5,10H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid has a molecular weight of 251.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid is sourced from PubChem (CID 115003677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).