6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one

C8H6ClN3O2 — CID 154662483

IUPAC6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one
SMILESCn1nc(-c2cnc(Cl)o2)ccc1=O
InChIInChI=1S/C8H6ClN3O2/c1-12-7(13)3-2-5(11-12)6-4-10-8(9)14-6/h2-4H,1H3
InChIKeyXGDSMTVALONURU-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.09
Rot. Bonds1

About 6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one

6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one (PubChem CID 154662483) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one
PubChem CID154662483
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one
SMILESCn1nc(-c2cnc(Cl)o2)ccc1=O
InChIInChI=1S/C8H6ClN3O2/c1-12-7(13)3-2-5(11-12)6-4-10-8(9)14-6/h2-4H,1H3
InChIKeyXGDSMTVALONURU-UHFFFAOYSA-N
XLogP1.09
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one (CID 154662483) is 6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one is Cn1nc(-c2cnc(Cl)o2)ccc1=O.
What is the InChIKey of 6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one?
The InChIKey is XGDSMTVALONURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-12-7(13)3-2-5(11-12)6-4-10-8(9)14-6/h2-4H,1H3.
What are the key properties of 6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one?
6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one has a molecular weight of 211.61 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one is sourced from PubChem (CID 154662483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).