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

C7H9NO2 — CID 54048607

IUPAC1-(1,2-oxazol-5-yl)but-2-en-1-ol
SMILESCC=CC(O)c1ccno1
InChIInChI=1S/C7H9NO2/c1-2-3-6(9)7-4-5-8-10-7/h2-6,9H,1H3
InChIKeyLRHGXHNUFXXHLJ-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.28
Rot. Bonds2

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

1-(1,2-oxazol-5-yl)but-2-en-1-ol (PubChem CID 54048607) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-yl)but-2-en-1-ol.

Molecular Properties

Compound Name1-(1,2-oxazol-5-yl)but-2-en-1-ol
PubChem CID54048607
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-(1,2-oxazol-5-yl)but-2-en-1-ol
SMILESCC=CC(O)c1ccno1
InChIInChI=1S/C7H9NO2/c1-2-3-6(9)7-4-5-8-10-7/h2-6,9H,1H3
InChIKeyLRHGXHNUFXXHLJ-UHFFFAOYSA-N
XLogP1.28
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,2-oxazol-5-yl)but-2-en-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1,2-Oxazol-5-ylmethanol
CID 12905098
1-(3-Bromo-1,2-oxazol-5-yl)ethan-1-ol
CID 13802086
2-(1,2-Oxazol-5-yl)ethan-1-ol
CID 19764725
1-(1,2-Oxazol-5-yl)undecan-1-ol
CID 135037413
(1R)-4,4,4-trifluoro-1-(1,2-oxazol-5-yl)butan-1-ol
CID 125514912
(1S)-4,4,4-trifluoro-1-(1,2-oxazol-5-yl)butan-1-ol
CID 125514913
4,4,4-Trifluoro-1-(1,2-oxazol-5-yl)butan-1-ol
CID 165438425
1-(Isoxazol-5-yl)butane-1,4-diol
CID 17966205
5-[1-[(2-Methylpropan-2-yl)oxy]ethyl]-1,2-oxazole
CID 19698744
2-Hydroxy-2-(1,2-oxazol-5-yl)acetic acid
CID 20389358
1-(1,2-Oxazol-5-yl)ethan-1-ol
CID 21817601
5-(1-Methoxyethyl)-1,2-oxazole
CID 22114937

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-yl)but-2-en-1-ol?
The IUPAC name of 1-(1,2-oxazol-5-yl)but-2-en-1-ol (CID 54048607) is 1-(1,2-oxazol-5-yl)but-2-en-1-ol.
What is the SMILES notation for 1-(1,2-oxazol-5-yl)but-2-en-1-ol?
The canonical SMILES for 1-(1,2-oxazol-5-yl)but-2-en-1-ol is CC=CC(O)c1ccno1.
What is the InChIKey of 1-(1,2-oxazol-5-yl)but-2-en-1-ol?
The InChIKey is LRHGXHNUFXXHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-3-6(9)7-4-5-8-10-7/h2-6,9H,1H3.
What are the key properties of 1-(1,2-oxazol-5-yl)but-2-en-1-ol?
1-(1,2-oxazol-5-yl)but-2-en-1-ol has a molecular weight of 139.15 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-yl)but-2-en-1-ol is sourced from PubChem (CID 54048607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).