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

C10H17NO2 — CID 11579232

IUPAC2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol
SMILESCc1oc(C(C)(C)C)nc1CCO
InChIInChI=1S/C10H17NO2/c1-7-8(5-6-12)11-9(13-7)10(2,3)4/h12H,5-6H2,1-4H3
InChIKeyTYRNAYJNLFWRQX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.82
Rot. Bonds2

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

2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol (PubChem CID 11579232) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol
PubChem CID11579232
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol
SMILESCc1oc(C(C)(C)C)nc1CCO
InChIInChI=1S/C10H17NO2/c1-7-8(5-6-12)11-9(13-7)10(2,3)4/h12H,5-6H2,1-4H3
InChIKeyTYRNAYJNLFWRQX-UHFFFAOYSA-N
XLogP1.82
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-tert-butyl-5-methyl-1,3-oxazol-4-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 2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol?
The IUPAC name of 2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol (CID 11579232) is 2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol?
The canonical SMILES for 2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol is Cc1oc(C(C)(C)C)nc1CCO.
What is the InChIKey of 2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol?
The InChIKey is TYRNAYJNLFWRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-8(5-6-12)11-9(13-7)10(2,3)4/h12H,5-6H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol?
2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol has a molecular weight of 183.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethanol is sourced from PubChem (CID 11579232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).