5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole

C9H15NO2 — CID 45096430

IUPAC5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole
SMILESCCOc1oc(C(C)C)nc1C
InChIInChI=1S/C9H15NO2/c1-5-11-9-7(4)10-8(12-9)6(2)3/h6H,5H2,1-4H3
InChIKeyJGYPHHZHYQSVOT-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.51
Rot. Bonds3

About 5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole

5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole (PubChem CID 45096430) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole
PubChem CID45096430
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole
SMILESCCOc1oc(C(C)C)nc1C
InChIInChI=1S/C9H15NO2/c1-5-11-9-7(4)10-8(12-9)6(2)3/h6H,5H2,1-4H3
InChIKeyJGYPHHZHYQSVOT-UHFFFAOYSA-N
XLogP2.51
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole (CID 45096430) is 5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole is CCOc1oc(C(C)C)nc1C.
What is the InChIKey of 5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole?
The InChIKey is JGYPHHZHYQSVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-5-11-9-7(4)10-8(12-9)6(2)3/h6H,5H2,1-4H3.
What are the key properties of 5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole?
5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole has a molecular weight of 169.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-methyl-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 45096430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).