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

C10H17NO2 — CID 67089857

IUPAC2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol
SMILESCc1nc(C(C)(C)C)oc1CCO
InChIInChI=1S/C10H17NO2/c1-7-8(5-6-12)13-9(11-7)10(2,3)4/h12H,5-6H2,1-4H3
InChIKeyNTKLPBFJCQGBBO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.82
Rot. Bonds2

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

2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol (PubChem CID 67089857) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol
PubChem CID67089857
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol
SMILESCc1nc(C(C)(C)C)oc1CCO
InChIInChI=1S/C10H17NO2/c1-7-8(5-6-12)13-9(11-7)10(2,3)4/h12H,5-6H2,1-4H3
InChIKeyNTKLPBFJCQGBBO-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol?
The IUPAC name of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol (CID 67089857) is 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol?
The canonical SMILES for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol is Cc1nc(C(C)(C)C)oc1CCO.
What is the InChIKey of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol?
The InChIKey is NTKLPBFJCQGBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-8(5-6-12)13-9(11-7)10(2,3)4/h12H,5-6H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol?
2-(2-tert-butyl-4-methyl-1,3-oxazol-5-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-4-methyl-1,3-oxazol-5-yl)ethanol is sourced from PubChem (CID 67089857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).