5-(6-chloro-3-pyridinyl)-1,3-oxazole

C8H5ClN2O — CID 2766284

IUPAC5-(6-chloro-3-pyridinyl)-1,3-oxazole
SMILESClc1ccc(-c2cnco2)cn1
InChIInChI=1S/C8H5ClN2O/c9-8-2-1-6(3-11-8)7-4-10-5-12-7/h1-5H
InChIKeyVLCZGHUOVFKECA-UHFFFAOYSA-N
MW180.59 g/mol
LogP2.39
Rot. Bonds1

About 5-(6-chloro-3-pyridinyl)-1,3-oxazole

5-(6-chloro-3-pyridinyl)-1,3-oxazole (PubChem CID 2766284) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-1,3-oxazole
PubChem CID2766284
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name5-(6-chloro-3-pyridinyl)-1,3-oxazole
SMILESClc1ccc(-c2cnco2)cn1
InChIInChI=1S/C8H5ClN2O/c9-8-2-1-6(3-11-8)7-4-10-5-12-7/h1-5H
InChIKeyVLCZGHUOVFKECA-UHFFFAOYSA-N
XLogP2.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-pyridinyl)-1,3-oxazole?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-1,3-oxazole (CID 2766284) is 5-(6-chloro-3-pyridinyl)-1,3-oxazole.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-1,3-oxazole?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-1,3-oxazole is Clc1ccc(-c2cnco2)cn1.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-1,3-oxazole?
The InChIKey is VLCZGHUOVFKECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-8-2-1-6(3-11-8)7-4-10-5-12-7/h1-5H.
What are the key properties of 5-(6-chloro-3-pyridinyl)-1,3-oxazole?
5-(6-chloro-3-pyridinyl)-1,3-oxazole has a molecular weight of 180.59 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)-1,3-oxazole is sourced from PubChem (CID 2766284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).