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

C7H11NO — CID 525776

IUPAC5-ethyl-2,4-dimethyl-1,3-oxazole
SMILESCCc1oc(C)nc1C
InChIInChI=1S/C7H11NO/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3
InChIKeyXOOCKFZHDAFKNK-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.85
Rot. Bonds1

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

5-ethyl-2,4-dimethyl-1,3-oxazole (PubChem CID 525776) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-ethyl-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2,4-dimethyl-1,3-oxazole
PubChem CID525776
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-ethyl-2,4-dimethyl-1,3-oxazole
SMILESCCc1oc(C)nc1C
InChIInChI=1S/C7H11NO/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3
InChIKeyXOOCKFZHDAFKNK-UHFFFAOYSA-N
XLogP1.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-ethyl-2,4-dimethyl-1,3-oxazole (CID 525776) is 5-ethyl-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-ethyl-2,4-dimethyl-1,3-oxazole is CCc1oc(C)nc1C.
What is the InChIKey of 5-ethyl-2,4-dimethyl-1,3-oxazole?
The InChIKey is XOOCKFZHDAFKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3.
What are the key properties of 5-ethyl-2,4-dimethyl-1,3-oxazole?
5-ethyl-2,4-dimethyl-1,3-oxazole has a molecular weight of 125.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 525776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).