5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one

C12H21NO2 — CID 23600276

IUPAC5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one
SMILESCC(C)C1=C(C(C)(C)C)C(=O)N(C)CO1
InChIInChI=1S/C12H21NO2/c1-8(2)10-9(12(3,4)5)11(14)13(6)7-15-10/h8H,7H2,1-6H3
InChIKeyDSCUIYCCSOHSRD-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.39
Rot. Bonds1

About 5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one

5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one (PubChem CID 23600276) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one
PubChem CID23600276
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one
SMILESCC(C)C1=C(C(C)(C)C)C(=O)N(C)CO1
InChIInChI=1S/C12H21NO2/c1-8(2)10-9(12(3,4)5)11(14)13(6)7-15-10/h8H,7H2,1-6H3
InChIKeyDSCUIYCCSOHSRD-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one?
The IUPAC name of 5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one (CID 23600276) is 5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one?
The canonical SMILES for 5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one is CC(C)C1=C(C(C)(C)C)C(=O)N(C)CO1.
What is the InChIKey of 5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one?
The InChIKey is DSCUIYCCSOHSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(2)10-9(12(3,4)5)11(14)13(6)7-15-10/h8H,7H2,1-6H3.
What are the key properties of 5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one?
5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one has a molecular weight of 211.30 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-6-propan-2-yl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 23600276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).