(3-ethyl-1,2-oxazol-4-yl)methanol

C6H9NO2 — CID 119057030

IUPAC(3-ethyl-1,2-oxazol-4-yl)methanol
SMILESCCc1nocc1CO
InChIInChI=1S/C6H9NO2/c1-2-6-5(3-8)4-9-7-6/h4,8H,2-3H2,1H3
InChIKeyABBNFPHEZAOLPY-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.73
Rot. Bonds2

About (3-ethyl-1,2-oxazol-4-yl)methanol

(3-ethyl-1,2-oxazol-4-yl)methanol (PubChem CID 119057030) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-4-yl)methanol
PubChem CID119057030
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(3-ethyl-1,2-oxazol-4-yl)methanol
SMILESCCc1nocc1CO
InChIInChI=1S/C6H9NO2/c1-2-6-5(3-8)4-9-7-6/h4,8H,2-3H2,1H3
InChIKeyABBNFPHEZAOLPY-UHFFFAOYSA-N
XLogP0.73
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-ethyl-1,2-oxazol-4-yl)methanol 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 (3-ethyl-1,2-oxazol-4-yl)methanol?
The IUPAC name of (3-ethyl-1,2-oxazol-4-yl)methanol (CID 119057030) is (3-ethyl-1,2-oxazol-4-yl)methanol.
What is the SMILES notation for (3-ethyl-1,2-oxazol-4-yl)methanol?
The canonical SMILES for (3-ethyl-1,2-oxazol-4-yl)methanol is CCc1nocc1CO.
What is the InChIKey of (3-ethyl-1,2-oxazol-4-yl)methanol?
The InChIKey is ABBNFPHEZAOLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-6-5(3-8)4-9-7-6/h4,8H,2-3H2,1H3.
What are the key properties of (3-ethyl-1,2-oxazol-4-yl)methanol?
(3-ethyl-1,2-oxazol-4-yl)methanol has a molecular weight of 127.14 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-oxazol-4-yl)methanol is sourced from PubChem (CID 119057030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).