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

C14H22N2O4 — CID 146264352

IUPAC2-[3-(5-hydroxy-4,4-dimethyl-5H-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/C14H22N2O4/c1-7(9-15-13(3,4)11(17)19-9)8(2)10-16-14(5,6)12(18)20-10/h7-8,11,17H,1-6H3
InChIKeyGKOLOIORYOYEDA-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.52
Rot. Bonds3

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

2-[3-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one (PubChem CID 146264352) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[3-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[3-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one
PubChem CID146264352
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[3-(5-hydroxy-4,4-dimethyl-5H-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/C14H22N2O4/c1-7(9-15-13(3,4)11(17)19-9)8(2)10-16-14(5,6)12(18)20-10/h7-8,11,17H,1-6H3
InChIKeyGKOLOIORYOYEDA-UHFFFAOYSA-N
XLogP1.52
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one?
The IUPAC name of 2-[3-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one (CID 146264352) is 2-[3-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one.
What is the SMILES notation for 2-[3-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one?
The canonical SMILES for 2-[3-(5-hydroxy-4,4-dimethyl-5H-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-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one?
The InChIKey is GKOLOIORYOYEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-7(9-15-13(3,4)11(17)19-9)8(2)10-16-14(5,6)12(18)20-10/h7-8,11,17H,1-6H3.
What are the key properties of 2-[3-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one?
2-[3-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one has a molecular weight of 282.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one is sourced from PubChem (CID 146264352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).