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

C7H11NO2 — CID 14692660

IUPAC2-ethyl-4,4-dimethyl-1,3-oxazol-5-one
SMILESCCC1=NC(C)(C)C(=O)O1
InChIInChI=1S/C7H11NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H2,1-3H3
InChIKeyYGFHISWMENSEAP-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.13
Rot. Bonds1

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

2-ethyl-4,4-dimethyl-1,3-oxazol-5-one (PubChem CID 14692660) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-ethyl-4,4-dimethyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-ethyl-4,4-dimethyl-1,3-oxazol-5-one
PubChem CID14692660
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-ethyl-4,4-dimethyl-1,3-oxazol-5-one
SMILESCCC1=NC(C)(C)C(=O)O1
InChIInChI=1S/C7H11NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H2,1-3H3
InChIKeyYGFHISWMENSEAP-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 2-ethyl-4,4-dimethyl-1,3-oxazol-5-one?
The IUPAC name of 2-ethyl-4,4-dimethyl-1,3-oxazol-5-one (CID 14692660) is 2-ethyl-4,4-dimethyl-1,3-oxazol-5-one.
What is the SMILES notation for 2-ethyl-4,4-dimethyl-1,3-oxazol-5-one?
The canonical SMILES for 2-ethyl-4,4-dimethyl-1,3-oxazol-5-one is CCC1=NC(C)(C)C(=O)O1.
What is the InChIKey of 2-ethyl-4,4-dimethyl-1,3-oxazol-5-one?
The InChIKey is YGFHISWMENSEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H2,1-3H3.
What are the key properties of 2-ethyl-4,4-dimethyl-1,3-oxazol-5-one?
2-ethyl-4,4-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 2-ethyl-4,4-dimethyl-1,3-oxazol-5-one is sourced from PubChem (CID 14692660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).