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

C12H13NO4 — CID 70687893

IUPAC3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)OC(C)(C)C2=O)cc1
InChIInChI=1S/C12H13NO4/c1-12(2)10(14)13(11(15)17-12)8-4-6-9(16-3)7-5-8/h4-7H,1-3H3
InChIKeyPXBWMQBSKYVHOR-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.96
Rot. Bonds2

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

3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 70687893) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID70687893
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)OC(C)(C)C2=O)cc1
InChIInChI=1S/C12H13NO4/c1-12(2)10(14)13(11(15)17-12)8-4-6-9(16-3)7-5-8/h4-7H,1-3H3
InChIKeyPXBWMQBSKYVHOR-UHFFFAOYSA-N
XLogP1.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 70687893) is 3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione is COc1ccc(N2C(=O)OC(C)(C)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is PXBWMQBSKYVHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-12(2)10(14)13(11(15)17-12)8-4-6-9(16-3)7-5-8/h4-7H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 70687893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).