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

C7H13NO2 — CID 59581401

IUPAC5-tert-butyl-1,2-oxazolidin-3-one
SMILESCC(C)(C)C1CC(=O)NO1
InChIInChI=1S/C7H13NO2/c1-7(2,3)5-4-6(9)8-10-5/h5H,4H2,1-3H3,(H,8,9)
InChIKeySWIHVDZPPCJVHE-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.85
Rot. Bonds

About 5-tert-butyl-1,2-oxazolidin-3-one

5-tert-butyl-1,2-oxazolidin-3-one (PubChem CID 59581401) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-tert-butyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name5-tert-butyl-1,2-oxazolidin-3-one
PubChem CID59581401
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-tert-butyl-1,2-oxazolidin-3-one
SMILESCC(C)(C)C1CC(=O)NO1
InChIInChI=1S/C7H13NO2/c1-7(2,3)5-4-6(9)8-10-5/h5H,4H2,1-3H3,(H,8,9)
InChIKeySWIHVDZPPCJVHE-UHFFFAOYSA-N
XLogP0.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 102189232
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CID 104576003
(4R,7S)-7-tert-butyl-4-methyloxepan-2-one
CID 15262966
5-tert-butyl-1,2-thiazolidin-3-one
CID 89360652
6-tert-butyl-1,3-diazinane-2,4-dione
CID 78207120
5-tert-butyl-3-hydroxyoxolan-2-one
CID 130128807
6-tert-butyloxan-2-one;ethane
CID 144908512
5-amino-6-tert-butylpiperidin-2-one
CID 122236933
3-tert-butyloxolane-2,5-dione
CID 10820811
(4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one
CID 55301160
1,4-ditert-butylpiperidine-2,6-dione
CID 23591871

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-oxazolidin-3-one?
The IUPAC name of 5-tert-butyl-1,2-oxazolidin-3-one (CID 59581401) is 5-tert-butyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 5-tert-butyl-1,2-oxazolidin-3-one?
The canonical SMILES for 5-tert-butyl-1,2-oxazolidin-3-one is CC(C)(C)C1CC(=O)NO1.
What is the InChIKey of 5-tert-butyl-1,2-oxazolidin-3-one?
The InChIKey is SWIHVDZPPCJVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2,3)5-4-6(9)8-10-5/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of 5-tert-butyl-1,2-oxazolidin-3-one?
5-tert-butyl-1,2-oxazolidin-3-one has a molecular weight of 143.19 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 59581401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).