1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol

C7H9NO2 — CID 159797889

IUPAC1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol
SMILESC=C(O)c1nc(C)oc1C
InChIInChI=1S/C7H9NO2/c1-4(9)7-5(2)10-6(3)8-7/h9H,1H2,2-3H3
InChIKeyBRZBCRVAPAYNBJ-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.82
Rot. Bonds1

About 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol

1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol (PubChem CID 159797889) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol
PubChem CID159797889
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol
SMILESC=C(O)c1nc(C)oc1C
InChIInChI=1S/C7H9NO2/c1-4(9)7-5(2)10-6(3)8-7/h9H,1H2,2-3H3
InChIKeyBRZBCRVAPAYNBJ-UHFFFAOYSA-N
XLogP1.82
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol 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

(Dimethyl-1,3-oxazol-4-yl)methanol
CID 7162083
4-Ethenyl-2,5-dimethyl-1,3-oxazole
CID 15176132
(Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol
CID 143671860
(2-Ethyl-5-methyloxazol-4-YL)methanol
CID 55264683
2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol
CID 142101919

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol?
The IUPAC name of 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol (CID 159797889) is 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol?
The canonical SMILES for 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol is C=C(O)c1nc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol?
The InChIKey is BRZBCRVAPAYNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-4(9)7-5(2)10-6(3)8-7/h9H,1H2,2-3H3.
What are the key properties of 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol?
1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol has a molecular weight of 139.15 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethenol is sourced from PubChem (CID 159797889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).