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

C11H17NO2 — CID 20730371

IUPAC1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol
SMILESCC(C)=C(C)c1nc(C(C)O)c(C)o1
InChIInChI=1S/C11H17NO2/c1-6(2)7(3)11-12-10(8(4)13)9(5)14-11/h8,13H,1-5H3
InChIKeyPRHRSUIHFVNVBD-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.85
Rot. Bonds2

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

1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol (PubChem CID 20730371) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol
PubChem CID20730371
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol
SMILESCC(C)=C(C)c1nc(C(C)O)c(C)o1
InChIInChI=1S/C11H17NO2/c1-6(2)7(3)11-12-10(8(4)13)9(5)14-11/h8,13H,1-5H3
InChIKeyPRHRSUIHFVNVBD-UHFFFAOYSA-N
XLogP2.85
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]ethanol?
The IUPAC name of 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol (CID 20730371) is 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol is CC(C)=C(C)c1nc(C(C)O)c(C)o1.
What is the InChIKey of 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is PRHRSUIHFVNVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6(2)7(3)11-12-10(8(4)13)9(5)14-11/h8,13H,1-5H3.
What are the key properties of 1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol?
1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 195.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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]ethanol is sourced from PubChem (CID 20730371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).