2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one

C14H20N2O4 — CID 146357147

IUPAC2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC(C1=NC(C)(C)C(=O)O1)C(C)C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C14H20N2O4/c1-7(9-15-13(3,4)11(17)19-9)8(2)10-16-14(5,6)12(18)20-10/h7-8H,1-6H3
InChIKeyAKUXNZQAPQSCED-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.73
Rot. Bonds3

About 2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one

2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one (PubChem CID 146357147) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one
PubChem CID146357147
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC(C1=NC(C)(C)C(=O)O1)C(C)C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C14H20N2O4/c1-7(9-15-13(3,4)11(17)19-9)8(2)10-16-14(5,6)12(18)20-10/h7-8H,1-6H3
InChIKeyAKUXNZQAPQSCED-UHFFFAOYSA-N
XLogP1.73
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one?
The IUPAC name of 2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one (CID 146357147) is 2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one.
What is the SMILES notation for 2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one?
The canonical SMILES for 2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one is CC(C1=NC(C)(C)C(=O)O1)C(C)C1=NC(C)(C)C(=O)O1.
What is the InChIKey of 2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one?
The InChIKey is AKUXNZQAPQSCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-7(9-15-13(3,4)11(17)19-9)8(2)10-16-14(5,6)12(18)20-10/h7-8H,1-6H3.
What are the key properties of 2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one?
2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one has a molecular weight of 280.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one is sourced from PubChem (CID 146357147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).