3-ethyl-5,5-dimethyl-4H-1,2-oxazole

C7H13NO — CID 20811480

IUPAC3-ethyl-5,5-dimethyl-4H-1,2-oxazole
SMILESCCC1=NOC(C)(C)C1
InChIInChI=1S/C7H13NO/c1-4-6-5-7(2,3)9-8-6/h4-5H2,1-3H3
InChIKeyAWCSZMCGZWMNBD-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.95
Rot. Bonds1

About 3-ethyl-5,5-dimethyl-4H-1,2-oxazole

3-ethyl-5,5-dimethyl-4H-1,2-oxazole (PubChem CID 20811480) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-ethyl-5,5-dimethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5,5-dimethyl-4H-1,2-oxazole
PubChem CID20811480
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-ethyl-5,5-dimethyl-4H-1,2-oxazole
SMILESCCC1=NOC(C)(C)C1
InChIInChI=1S/C7H13NO/c1-4-6-5-7(2,3)9-8-6/h4-5H2,1-3H3
InChIKeyAWCSZMCGZWMNBD-UHFFFAOYSA-N
XLogP1.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,5-dimethyl-4H-1,2-oxazole?
The IUPAC name of 3-ethyl-5,5-dimethyl-4H-1,2-oxazole (CID 20811480) is 3-ethyl-5,5-dimethyl-4H-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5,5-dimethyl-4H-1,2-oxazole?
The canonical SMILES for 3-ethyl-5,5-dimethyl-4H-1,2-oxazole is CCC1=NOC(C)(C)C1.
What is the InChIKey of 3-ethyl-5,5-dimethyl-4H-1,2-oxazole?
The InChIKey is AWCSZMCGZWMNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6-5-7(2,3)9-8-6/h4-5H2,1-3H3.
What are the key properties of 3-ethyl-5,5-dimethyl-4H-1,2-oxazole?
3-ethyl-5,5-dimethyl-4H-1,2-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,5-dimethyl-4H-1,2-oxazole is sourced from PubChem (CID 20811480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).