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

C10H9NO4 — CID 12762411

IUPAC4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione
SMILESCOc1cccc(C2C(=O)NOC2=O)c1
InChIInChI=1S/C10H9NO4/c1-14-7-4-2-3-6(5-7)8-9(12)11-15-10(8)13/h2-5,8H,1H3,(H,11,12)
InChIKeyGTLJNZXLCZDZRN-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.37
Rot. Bonds2

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

4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione (PubChem CID 12762411) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione
PubChem CID12762411
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione
SMILESCOc1cccc(C2C(=O)NOC2=O)c1
InChIInChI=1S/C10H9NO4/c1-14-7-4-2-3-6(5-7)8-9(12)11-15-10(8)13/h2-5,8H,1H3,(H,11,12)
InChIKeyGTLJNZXLCZDZRN-UHFFFAOYSA-N
XLogP0.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione?
The IUPAC name of 4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione (CID 12762411) is 4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione.
What is the SMILES notation for 4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione?
The canonical SMILES for 4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione is COc1cccc(C2C(=O)NOC2=O)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione?
The InChIKey is GTLJNZXLCZDZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-14-7-4-2-3-6(5-7)8-9(12)11-15-10(8)13/h2-5,8H,1H3,(H,11,12).
What are the key properties of 4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione?
4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione has a molecular weight of 207.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1,2-oxazolidine-3,5-dione is sourced from PubChem (CID 12762411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).