3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one

C12H12N2O7 — CID 8880784

IUPAC3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(OCC(=O)N2CCOC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H12N2O7/c1-19-8-2-3-10(9(6-8)14(17)18)21-7-11(15)13-4-5-20-12(13)16/h2-3,6H,4-5,7H2,1H3
InChIKeyXXZNAGIQTUPXHD-UHFFFAOYSA-N
MW296.24 g/mol
LogP0.96
Rot. Bonds5

About 3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one

3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one (PubChem CID 8880784) has the molecular formula C12H12N2O7 and a molecular weight of 296.24 g/mol. Its IUPAC name is 3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one
PubChem CID8880784
Molecular FormulaC12H12N2O7
Molecular Weight296.24 g/mol
Exact Mass296.06
IUPAC Name3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(OCC(=O)N2CCOC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H12N2O7/c1-19-8-2-3-10(9(6-8)14(17)18)21-7-11(15)13-4-5-20-12(13)16/h2-3,6H,4-5,7H2,1H3
InChIKeyXXZNAGIQTUPXHD-UHFFFAOYSA-N
XLogP0.96
TPSA108.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(3-methyl-4-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one
CID 8978225
2-(4-methoxy-2-nitrophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone
CID 9338003
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2563855
1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8880766
2-[(4-methoxy-2-nitrophenoxy)methyl]prop-2-ene-1-thiol
CID 103073654
(4-ethoxyphenyl) 2-(4-methoxy-2-nitrophenoxy)acetate
CID 8886693
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine
CID 64572751
2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765507
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one (CID 8880784) is 3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one is COc1ccc(OCC(=O)N2CCOC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is XXZNAGIQTUPXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O7/c1-19-8-2-3-10(9(6-8)14(17)18)21-7-11(15)13-4-5-20-12(13)16/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one?
3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 296.24 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 8880784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).