2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol

C10H9ClN2O2 — CID 67532555

IUPAC2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol
SMILESOCC(Cl)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C10H9ClN2O2/c11-7(6-14)10-13-5-9(15-10)8-3-1-2-4-12-8/h1-5,7,14H,6H2
InChIKeyNKUVEVAKIADRHC-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.01
Rot. Bonds3

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

2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol (PubChem CID 67532555) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol.

Molecular Properties

Compound Name2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol
PubChem CID67532555
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol
SMILESOCC(Cl)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C10H9ClN2O2/c11-7(6-14)10-13-5-9(15-10)8-3-1-2-4-12-8/h1-5,7,14H,6H2
InChIKeyNKUVEVAKIADRHC-UHFFFAOYSA-N
XLogP2.01
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol?
The IUPAC name of 2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol (CID 67532555) is 2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol.
What is the SMILES notation for 2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol?
The canonical SMILES for 2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol is OCC(Cl)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol?
The InChIKey is NKUVEVAKIADRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-7(6-14)10-13-5-9(15-10)8-3-1-2-4-12-8/h1-5,7,14H,6H2.
What are the key properties of 2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol?
2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol has a molecular weight of 224.65 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol is sourced from PubChem (CID 67532555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).