3-tert-butyl-1,3-oxazolidin-2-one

C7H13NO2 — CID 581833

IUPAC3-tert-butyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1CCOC1=O
InChIInChI=1S/C7H13NO2/c1-7(2,3)8-4-5-10-6(8)9/h4-5H2,1-3H3
InChIKeyBVRKJDJSSFTJMG-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.24
Rot. Bonds

About 3-tert-butyl-1,3-oxazolidin-2-one

3-tert-butyl-1,3-oxazolidin-2-one (PubChem CID 581833) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-tert-butyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1,3-oxazolidin-2-one
PubChem CID581833
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-tert-butyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1CCOC1=O
InChIInChI=1S/C7H13NO2/c1-7(2,3)8-4-5-10-6(8)9/h4-5H2,1-3H3
InChIKeyBVRKJDJSSFTJMG-UHFFFAOYSA-N
XLogP1.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-tert-butyl-1,3-oxazolidin-2-one (CID 581833) is 3-tert-butyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-tert-butyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-tert-butyl-1,3-oxazolidin-2-one is CC(C)(C)N1CCOC1=O.
What is the InChIKey of 3-tert-butyl-1,3-oxazolidin-2-one?
The InChIKey is BVRKJDJSSFTJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2,3)8-4-5-10-6(8)9/h4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-1,3-oxazolidin-2-one?
3-tert-butyl-1,3-oxazolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 581833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).