2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol

C11H17NO2 — CID 22933314

IUPAC2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol
SMILESCCC/C=C/c1nc(CCO)c(C)o1
InChIInChI=1S/C11H17NO2/c1-3-4-5-6-11-12-10(7-8-13)9(2)14-11/h5-6,13H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyQBJDNYJAZGMLTJ-AATRIKPKSA-N
MW195.26 g/mol
LogP2.33
Rot. Bonds5

About 2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol

2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol (PubChem CID 22933314) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol
PubChem CID22933314
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol
SMILESCCC/C=C/c1nc(CCO)c(C)o1
InChIInChI=1S/C11H17NO2/c1-3-4-5-6-11-12-10(7-8-13)9(2)14-11/h5-6,13H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyQBJDNYJAZGMLTJ-AATRIKPKSA-N
XLogP2.33
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol (CID 22933314) is 2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol is CCC/C=C/c1nc(CCO)c(C)o1.
What is the InChIKey of 2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol?
The InChIKey is QBJDNYJAZGMLTJ-AATRIKPKSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-5-6-11-12-10(7-8-13)9(2)14-11/h5-6,13H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of 2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol?
2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol has a molecular weight of 195.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 22933314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).