5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione

C14H17NO3 — CID 82098485

IUPAC5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C2(C)OC(=O)NC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-13(2,3)9-5-7-10(8-6-9)14(4)11(16)15-12(17)18-14/h5-8H,1-4H3,(H,15,16,17)
InChIKeyYXKGJDOYLNGVLN-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.47
Rot. Bonds1

About 5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione

5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 82098485) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID82098485
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C2(C)OC(=O)NC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-13(2,3)9-5-7-10(8-6-9)14(4)11(16)15-12(17)18-14/h5-8H,1-4H3,(H,15,16,17)
InChIKeyYXKGJDOYLNGVLN-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione (CID 82098485) is 5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione is CC(C)(C)c1ccc(C2(C)OC(=O)NC2=O)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is YXKGJDOYLNGVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-13(2,3)9-5-7-10(8-6-9)14(4)11(16)15-12(17)18-14/h5-8H,1-4H3,(H,15,16,17).
What are the key properties of 5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione?
5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 247.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 82098485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).