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

C10H7ClN2O2 — CID 16735859

IUPAC2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone
SMILESO=C(CCl)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C10H7ClN2O2/c11-5-8(14)10-13-6-9(15-10)7-3-1-2-4-12-7/h1-4,6H,5H2
InChIKeyMKVLXIACPLGLLP-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.16
Rot. Bonds3

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

2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone (PubChem CID 16735859) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone
PubChem CID16735859
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone
SMILESO=C(CCl)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C10H7ClN2O2/c11-5-8(14)10-13-6-9(15-10)7-3-1-2-4-12-7/h1-4,6H,5H2
InChIKeyMKVLXIACPLGLLP-UHFFFAOYSA-N
XLogP2.16
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.16
H-Bond Donors ≤ 50
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-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone?
The IUPAC name of 2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone (CID 16735859) is 2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone is O=C(CCl)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone?
The InChIKey is MKVLXIACPLGLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-5-8(14)10-13-6-9(15-10)7-3-1-2-4-12-7/h1-4,6H,5H2.
What are the key properties of 2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone?
2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone has a molecular weight of 222.63 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 16735859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).