4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one

C8H5ClN2O2 — CID 19596714

IUPAC4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(-c2ccccn2)c1Cl
InChIInChI=1S/C8H5ClN2O2/c9-6-7(13-11-8(6)12)5-3-1-2-4-10-5/h1-4H,(H,11,12)
InChIKeyDJJXVYWISSYWQO-UHFFFAOYSA-N
MW196.59 g/mol
LogP1.68
Rot. Bonds1

About 4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one

4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one (PubChem CID 19596714) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is 4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one
PubChem CID19596714
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Name4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(-c2ccccn2)c1Cl
InChIInChI=1S/C8H5ClN2O2/c9-6-7(13-11-8(6)12)5-3-1-2-4-10-5/h1-4H,(H,11,12)
InChIKeyDJJXVYWISSYWQO-UHFFFAOYSA-N
XLogP1.68
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one?
The IUPAC name of 4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one (CID 19596714) is 4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one.
What is the SMILES notation for 4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one?
The canonical SMILES for 4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one is O=c1[nH]oc(-c2ccccn2)c1Cl.
What is the InChIKey of 4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one?
The InChIKey is DJJXVYWISSYWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2/c9-6-7(13-11-8(6)12)5-3-1-2-4-10-5/h1-4H,(H,11,12).
What are the key properties of 4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one?
4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one has a molecular weight of 196.59 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-pyridin-2-yl-1,2-oxazol-3-one is sourced from PubChem (CID 19596714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).