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

C12H16N2O4 — CID 23056147

IUPAC2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC(C1=NC(C)(C)C(=O)O1)C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C12H16N2O4/c1-6(7-13-11(2,3)9(15)17-7)8-14-12(4,5)10(16)18-8/h6H,1-5H3
InChIKeyOUVKPJGFQPITCQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.09
Rot. Bonds2

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

2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one (PubChem CID 23056147) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one
PubChem CID23056147
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC(C1=NC(C)(C)C(=O)O1)C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C12H16N2O4/c1-6(7-13-11(2,3)9(15)17-7)8-14-12(4,5)10(16)18-8/h6H,1-5H3
InChIKeyOUVKPJGFQPITCQ-UHFFFAOYSA-N
XLogP1.09
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5(4H)-Oxazolone, 2,2'-(1,4-butanediyl)bis[4,4-dimethyl-
CID 3547760
4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one
CID 19881962
2-[(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 19881964
2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 19881965
2-[2-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 19881972
2-[1-Bromo-1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 20782777
2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
CID 23054501
4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
CID 23054506
2-Isopropyl-4,4-dimethyloxazol-5(4H)-one
CID 45086668
2,2-Bis(4,4-dimethyl-5-oxo-2-oxazoline-2-yl)propane
CID 53721736
2-[1-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 53983662
2-[1-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 54568951

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one?
The IUPAC name of 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one (CID 23056147) is 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one.
What is the SMILES notation for 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one?
The canonical SMILES for 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one is CC(C1=NC(C)(C)C(=O)O1)C1=NC(C)(C)C(=O)O1.
What is the InChIKey of 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one?
The InChIKey is OUVKPJGFQPITCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-6(7-13-11(2,3)9(15)17-7)8-14-12(4,5)10(16)18-8/h6H,1-5H3.
What are the key properties of 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one?
2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one has a molecular weight of 252.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one is sourced from PubChem (CID 23056147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).