2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one

C12H21NO3 — CID 2794075

IUPAC2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one
SMILESCC(C)(C)C(=O)N1CC(=O)OC1C(C)(C)C
InChIInChI=1S/C12H21NO3/c1-11(2,3)9(15)13-7-8(14)16-10(13)12(4,5)6/h10H,7H2,1-6H3
InChIKeyCAUVZJVLPSSMSV-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.79
Rot. Bonds

About 2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one

2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one (PubChem CID 2794075) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one
PubChem CID2794075
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one
SMILESCC(C)(C)C(=O)N1CC(=O)OC1C(C)(C)C
InChIInChI=1S/C12H21NO3/c1-11(2,3)9(15)13-7-8(14)16-10(13)12(4,5)6/h10H,7H2,1-6H3
InChIKeyCAUVZJVLPSSMSV-UHFFFAOYSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one?
The IUPAC name of 2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one (CID 2794075) is 2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for 2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one?
The canonical SMILES for 2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one is CC(C)(C)C(=O)N1CC(=O)OC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one?
The InChIKey is CAUVZJVLPSSMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2,3)9(15)13-7-8(14)16-10(13)12(4,5)6/h10H,7H2,1-6H3.
What are the key properties of 2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one?
2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one has a molecular weight of 227.30 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(2,2-dimethylpropanoyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 2794075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).