5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one

C14H25NO2 — CID 58990424

IUPAC5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one
SMILESCC(C)(C)C1=C(C(C)(C)C)OC(C)(C)C(=O)N1
InChIInChI=1S/C14H25NO2/c1-12(2,3)9-10(13(4,5)6)17-14(7,8)11(16)15-9/h1-8H3,(H,15,16)
InChIKeyYFQQDSPFUZVIHI-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.22
Rot. Bonds

About 5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one

5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one (PubChem CID 58990424) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one.

Molecular Properties

Compound Name5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one
PubChem CID58990424
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one
SMILESCC(C)(C)C1=C(C(C)(C)C)OC(C)(C)C(=O)N1
InChIInChI=1S/C14H25NO2/c1-12(2,3)9-10(13(4,5)6)17-14(7,8)11(16)15-9/h1-8H3,(H,15,16)
InChIKeyYFQQDSPFUZVIHI-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one?
The IUPAC name of 5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one (CID 58990424) is 5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one.
What is the SMILES notation for 5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one?
The canonical SMILES for 5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one is CC(C)(C)C1=C(C(C)(C)C)OC(C)(C)C(=O)N1.
What is the InChIKey of 5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one?
The InChIKey is YFQQDSPFUZVIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12(2,3)9-10(13(4,5)6)17-14(7,8)11(16)15-9/h1-8H3,(H,15,16).
What are the key properties of 5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one?
5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one has a molecular weight of 239.36 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one is sourced from PubChem (CID 58990424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).