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

C11H14N2O4 — CID 19881964

IUPAC2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC1(C)N=C(CC2=NC(C)(C)C(=O)O2)OC1=O
InChIInChI=1S/C11H14N2O4/c1-10(2)8(14)16-6(12-10)5-7-13-11(3,4)9(15)17-7/h5H2,1-4H3
InChIKeyARJYLIOEJWMXTA-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.84
Rot. Bonds2

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

2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one (PubChem CID 19881964) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one
PubChem CID19881964
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC1(C)N=C(CC2=NC(C)(C)C(=O)O2)OC1=O
InChIInChI=1S/C11H14N2O4/c1-10(2)8(14)16-6(12-10)5-7-13-11(3,4)9(15)17-7/h5H2,1-4H3
InChIKeyARJYLIOEJWMXTA-UHFFFAOYSA-N
XLogP0.84
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one?
The IUPAC name of 2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one (CID 19881964) is 2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one.
What is the SMILES notation for 2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one?
The canonical SMILES for 2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one is CC1(C)N=C(CC2=NC(C)(C)C(=O)O2)OC1=O.
What is the InChIKey of 2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one?
The InChIKey is ARJYLIOEJWMXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-10(2)8(14)16-6(12-10)5-7-13-11(3,4)9(15)17-7/h5H2,1-4H3.
What are the key properties of 2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one?
2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one has a molecular weight of 238.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one is sourced from PubChem (CID 19881964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).