2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol

C10H17NO2 — CID 65017758

IUPAC2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol
SMILESCCC(CC)c1cc(CCO)on1
InChIInChI=1S/C10H17NO2/c1-3-8(4-2)10-7-9(5-6-12)13-11-10/h7-8,12H,3-6H2,1-2H3
InChIKeyGHRKJQXIRWMQGU-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.11
Rot. Bonds5

About 2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol

2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol (PubChem CID 65017758) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol
PubChem CID65017758
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol
SMILESCCC(CC)c1cc(CCO)on1
InChIInChI=1S/C10H17NO2/c1-3-8(4-2)10-7-9(5-6-12)13-11-10/h7-8,12H,3-6H2,1-2H3
InChIKeyGHRKJQXIRWMQGU-UHFFFAOYSA-N
XLogP2.11
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol?
The IUPAC name of 2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol (CID 65017758) is 2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol?
The canonical SMILES for 2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol is CCC(CC)c1cc(CCO)on1.
What is the InChIKey of 2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol?
The InChIKey is GHRKJQXIRWMQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8(4-2)10-7-9(5-6-12)13-11-10/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol?
2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol has a molecular weight of 183.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol is sourced from PubChem (CID 65017758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).