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

C14H20N2O4 — CID 57153210

IUPAC2-[2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one
SMILESCCC(C)(C1=NC(C)(C)C(=O)O1)C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C14H20N2O4/c1-7-14(6,8-15-12(2,3)10(17)19-8)9-16-13(4,5)11(18)20-9/h7H2,1-6H3
InChIKeyUAIFCYONLMODEJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.87
Rot. Bonds3

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

2-[2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one (PubChem CID 57153210) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-(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-[2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one
PubChem CID57153210
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one
SMILESCCC(C)(C1=NC(C)(C)C(=O)O1)C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C14H20N2O4/c1-7-14(6,8-15-12(2,3)10(17)19-8)9-16-13(4,5)11(18)20-9/h7H2,1-6H3
InChIKeyUAIFCYONLMODEJ-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(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-[2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one (CID 57153210) is 2-[2-(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-[2-(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-[2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one is CCC(C)(C1=NC(C)(C)C(=O)O1)C1=NC(C)(C)C(=O)O1.
What is the InChIKey of 2-[2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one?
The InChIKey is UAIFCYONLMODEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-7-14(6,8-15-12(2,3)10(17)19-8)9-16-13(4,5)11(18)20-9/h7H2,1-6H3.
What are the key properties of 2-[2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one?
2-[2-(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 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(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 57153210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).