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

C8H15NO2 — CID 84716640

IUPAC5-tert-butyl-1,3-oxazinan-2-one
SMILESCC(C)(C)C1CNC(=O)OC1
InChIInChI=1S/C8H15NO2/c1-8(2,3)6-4-9-7(10)11-5-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyVUWRADDTCBPHHU-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.39
Rot. Bonds

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

5-tert-butyl-1,3-oxazinan-2-one (PubChem CID 84716640) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-tert-butyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-tert-butyl-1,3-oxazinan-2-one
PubChem CID84716640
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5-tert-butyl-1,3-oxazinan-2-one
SMILESCC(C)(C)C1CNC(=O)OC1
InChIInChI=1S/C8H15NO2/c1-8(2,3)6-4-9-7(10)11-5-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyVUWRADDTCBPHHU-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-oxazinan-2-one?
The IUPAC name of 5-tert-butyl-1,3-oxazinan-2-one (CID 84716640) is 5-tert-butyl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-tert-butyl-1,3-oxazinan-2-one?
The canonical SMILES for 5-tert-butyl-1,3-oxazinan-2-one is CC(C)(C)C1CNC(=O)OC1.
What is the InChIKey of 5-tert-butyl-1,3-oxazinan-2-one?
The InChIKey is VUWRADDTCBPHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)6-4-9-7(10)11-5-6/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 5-tert-butyl-1,3-oxazinan-2-one?
5-tert-butyl-1,3-oxazinan-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-oxazinan-2-one is sourced from PubChem (CID 84716640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).