1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol

C6H11NO2 — CID 14200424

IUPAC1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
SMILESCC1=NOC(C(C)O)C1
InChIInChI=1S/C6H11NO2/c1-4-3-6(5(2)8)9-7-4/h5-6,8H,3H2,1-2H3
InChIKeyIRBMWFBQARBOPY-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.53
Rot. Bonds1

About 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol

1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol (PubChem CID 14200424) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
PubChem CID14200424
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
SMILESCC1=NOC(C(C)O)C1
InChIInChI=1S/C6H11NO2/c1-4-3-6(5(2)8)9-7-4/h5-6,8H,3H2,1-2H3
InChIKeyIRBMWFBQARBOPY-UHFFFAOYSA-N
XLogP0.53
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-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 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The IUPAC name of 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol (CID 14200424) is 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The canonical SMILES for 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol is CC1=NOC(C(C)O)C1.
What is the InChIKey of 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The InChIKey is IRBMWFBQARBOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-3-6(5(2)8)9-7-4/h5-6,8H,3H2,1-2H3.
What are the key properties of 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol has a molecular weight of 129.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol is sourced from PubChem (CID 14200424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).