1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate

C13H19NO3 — CID 20730372

IUPAC1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate
SMILESCC(=O)OC(C)c1nc(C(C)=C(C)C)oc1C
InChIInChI=1S/C13H19NO3/c1-7(2)8(3)13-14-12(10(5)17-13)9(4)16-11(6)15/h9H,1-6H3
InChIKeyCKCPEDQZXLGVNO-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.42
Rot. Bonds3

About 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate

1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate (PubChem CID 20730372) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate.

Molecular Properties

Compound Name1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate
PubChem CID20730372
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate
SMILESCC(=O)OC(C)c1nc(C(C)=C(C)C)oc1C
InChIInChI=1S/C13H19NO3/c1-7(2)8(3)13-14-12(10(5)17-13)9(4)16-11(6)15/h9H,1-6H3
InChIKeyCKCPEDQZXLGVNO-UHFFFAOYSA-N
XLogP3.42
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate?
The IUPAC name of 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate (CID 20730372) is 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate.
What is the SMILES notation for 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate?
The canonical SMILES for 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate is CC(=O)OC(C)c1nc(C(C)=C(C)C)oc1C.
What is the InChIKey of 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate?
The InChIKey is CKCPEDQZXLGVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-7(2)8(3)13-14-12(10(5)17-13)9(4)16-11(6)15/h9H,1-6H3.
What are the key properties of 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate?
1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate has a molecular weight of 237.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate is sourced from PubChem (CID 20730372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).