4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one

C14H27NO2 — CID 59067730

IUPAC4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one
SMILESCCCN1OC(C(C)(C)C)C(C(C)(C)C)C1=O
InChIInChI=1S/C14H27NO2/c1-8-9-15-12(16)10(13(2,3)4)11(17-15)14(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyNHOGLROZZNMUBN-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.25
Rot. Bonds2

About 4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one

4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one (PubChem CID 59067730) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one
PubChem CID59067730
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one
SMILESCCCN1OC(C(C)(C)C)C(C(C)(C)C)C1=O
InChIInChI=1S/C14H27NO2/c1-8-9-15-12(16)10(13(2,3)4)11(17-15)14(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyNHOGLROZZNMUBN-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one?
The IUPAC name of 4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one (CID 59067730) is 4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one?
The canonical SMILES for 4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one is CCCN1OC(C(C)(C)C)C(C(C)(C)C)C1=O.
What is the InChIKey of 4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one?
The InChIKey is NHOGLROZZNMUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-8-9-15-12(16)10(13(2,3)4)11(17-15)14(5,6)7/h10-11H,8-9H2,1-7H3.
What are the key properties of 4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one?
4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one has a molecular weight of 241.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-propyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 59067730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).