4-ethyl-2,4-dimethyl-1,3-oxazol-5-one

C7H11NO2 — CID 54342368

IUPAC4-ethyl-2,4-dimethyl-1,3-oxazol-5-one
SMILESCCC1(C)N=C(C)OC1=O
InChIInChI=1S/C7H11NO2/c1-4-7(3)6(9)10-5(2)8-7/h4H2,1-3H3
InChIKeyTZVSJGASRPNJFU-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.13
Rot. Bonds1

About 4-ethyl-2,4-dimethyl-1,3-oxazol-5-one

4-ethyl-2,4-dimethyl-1,3-oxazol-5-one (PubChem CID 54342368) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-ethyl-2,4-dimethyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-ethyl-2,4-dimethyl-1,3-oxazol-5-one
PubChem CID54342368
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-ethyl-2,4-dimethyl-1,3-oxazol-5-one
SMILESCCC1(C)N=C(C)OC1=O
InChIInChI=1S/C7H11NO2/c1-4-7(3)6(9)10-5(2)8-7/h4H2,1-3H3
InChIKeyTZVSJGASRPNJFU-UHFFFAOYSA-N
XLogP1.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,4-dimethyl-1,3-oxazol-5-one?
The IUPAC name of 4-ethyl-2,4-dimethyl-1,3-oxazol-5-one (CID 54342368) is 4-ethyl-2,4-dimethyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-ethyl-2,4-dimethyl-1,3-oxazol-5-one?
The canonical SMILES for 4-ethyl-2,4-dimethyl-1,3-oxazol-5-one is CCC1(C)N=C(C)OC1=O.
What is the InChIKey of 4-ethyl-2,4-dimethyl-1,3-oxazol-5-one?
The InChIKey is TZVSJGASRPNJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-7(3)6(9)10-5(2)8-7/h4H2,1-3H3.
What are the key properties of 4-ethyl-2,4-dimethyl-1,3-oxazol-5-one?
4-ethyl-2,4-dimethyl-1,3-oxazol-5-one has a molecular weight of 141.17 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,4-dimethyl-1,3-oxazol-5-one is sourced from PubChem (CID 54342368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).