2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol

C11H17NO3 — CID 89231482

IUPAC2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol
SMILESC=CC(CO)c1cc(OCCCC)no1
InChIInChI=1S/C11H17NO3/c1-3-5-6-14-11-7-10(15-12-11)9(4-2)8-13/h4,7,9,13H,2-3,5-6,8H2,1H3
InChIKeyXAIHHJNHDPJREP-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.12
Rot. Bonds7

About 2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol

2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol (PubChem CID 89231482) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol.

Molecular Properties

Compound Name2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol
PubChem CID89231482
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol
SMILESC=CC(CO)c1cc(OCCCC)no1
InChIInChI=1S/C11H17NO3/c1-3-5-6-14-11-7-10(15-12-11)9(4-2)8-13/h4,7,9,13H,2-3,5-6,8H2,1H3
InChIKeyXAIHHJNHDPJREP-UHFFFAOYSA-N
XLogP2.12
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol?
The IUPAC name of 2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol (CID 89231482) is 2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol.
What is the SMILES notation for 2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol?
The canonical SMILES for 2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol is C=CC(CO)c1cc(OCCCC)no1.
What is the InChIKey of 2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol?
The InChIKey is XAIHHJNHDPJREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-5-6-14-11-7-10(15-12-11)9(4-2)8-13/h4,7,9,13H,2-3,5-6,8H2,1H3.
What are the key properties of 2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol?
2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol has a molecular weight of 211.26 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxy-1,2-oxazol-5-yl)but-3-en-1-ol is sourced from PubChem (CID 89231482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).