3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one

C15H9N3O2S — CID 67465258

IUPAC3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc3nc(-c4cccs4)oc3c2)n[nH]1
InChIInChI=1S/C15H9N3O2S/c19-14-6-5-10(17-18-14)9-3-4-11-12(8-9)20-15(16-11)13-2-1-7-21-13/h1-8H,(H,18,19)
InChIKeyLTRSKKCSKDXBFV-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.31
Rot. Bonds2

About 3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one

3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one (PubChem CID 67465258) has the molecular formula C15H9N3O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one
PubChem CID67465258
Molecular FormulaC15H9N3O2S
Molecular Weight295.32 g/mol
Exact Mass295.04
IUPAC Name3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc3nc(-c4cccs4)oc3c2)n[nH]1
InChIInChI=1S/C15H9N3O2S/c19-14-6-5-10(17-18-14)9-3-4-11-12(8-9)20-15(16-11)13-2-1-7-21-13/h1-8H,(H,18,19)
InChIKeyLTRSKKCSKDXBFV-UHFFFAOYSA-N
XLogP3.31
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole
CID 170716706
2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314270
6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole
CID 135062583
3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
CID 94069171
thiophene;2-thiophen-2-yl-1,3-benzoxazole
CID 174523834
3-quinolin-6-yl-1H-pyridazin-6-one
CID 106519623
5-fluoro-2-thiophen-2-yl-1,3-benzoxazole
CID 102366712
6-chloro-2-thiophen-2-yl-3,1-benzoxazin-4-one
CID 574259
1-(2-thiophen-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299953
5-propan-2-yl-2-thiophen-2-yl-1,3-benzoxazol-7-amine
CID 82095460
3-(1H-indol-5-yl)-1H-pyridazin-6-one
CID 170567503
3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole
CID 122400627

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one (CID 67465258) is 3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one is O=c1ccc(-c2ccc3nc(-c4cccs4)oc3c2)n[nH]1.
What is the InChIKey of 3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one?
The InChIKey is LTRSKKCSKDXBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S/c19-14-6-5-10(17-18-14)9-3-4-11-12(8-9)20-15(16-11)13-2-1-7-21-13/h1-8H,(H,18,19).
What are the key properties of 3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one?
3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one has a molecular weight of 295.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 67465258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).