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

C10H12N2O4 — CID 19078043

IUPAC4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
SMILESCC1N=C(CCC2=NC(C)C(=O)O2)OC1=O
InChIInChI=1S/C10H12N2O4/c1-5-9(13)15-7(11-5)3-4-8-12-6(2)10(14)16-8/h5-6H,3-4H2,1-2H3
InChIKeyNDGHTEABFVIVHK-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.45
Rot. Bonds3

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

4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one (PubChem CID 19078043) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
PubChem CID19078043
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
SMILESCC1N=C(CCC2=NC(C)C(=O)O2)OC1=O
InChIInChI=1S/C10H12N2O4/c1-5-9(13)15-7(11-5)3-4-8-12-6(2)10(14)16-8/h5-6H,3-4H2,1-2H3
InChIKeyNDGHTEABFVIVHK-UHFFFAOYSA-N
XLogP0.45
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one (CID 19078043) is 4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one is CC1N=C(CCC2=NC(C)C(=O)O2)OC1=O.
What is the InChIKey of 4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
The InChIKey is NDGHTEABFVIVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-5-9(13)15-7(11-5)3-4-8-12-6(2)10(14)16-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one has a molecular weight of 224.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19078043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).