3-pyridazin-3-yl-2,1-benzoxazole

C11H7N3O — CID 10888861

IUPAC3-pyridazin-3-yl-2,1-benzoxazole
SMILESc1cnnc(-c2onc3ccccc23)c1
InChIInChI=1S/C11H7N3O/c1-2-5-9-8(4-1)11(15-14-9)10-6-3-7-12-13-10/h1-7H
InChIKeyJKGHSNPMXUXMIV-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.28
Rot. Bonds1

About 3-pyridazin-3-yl-2,1-benzoxazole

3-pyridazin-3-yl-2,1-benzoxazole (PubChem CID 10888861) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-pyridazin-3-yl-2,1-benzoxazole.

Molecular Properties

Compound Name3-pyridazin-3-yl-2,1-benzoxazole
PubChem CID10888861
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name3-pyridazin-3-yl-2,1-benzoxazole
SMILESc1cnnc(-c2onc3ccccc23)c1
InChIInChI=1S/C11H7N3O/c1-2-5-9-8(4-1)11(15-14-9)10-6-3-7-12-13-10/h1-7H
InChIKeyJKGHSNPMXUXMIV-UHFFFAOYSA-N
XLogP2.28
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(bromomethyl)phenyl]-2,1-benzoxazole
CID 70358413
2-pyridazin-3-ylfuran-3-amine
CID 82415473
3-anthracen-1-yl-2,1-benzoxazole
CID 141121933
3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine
CID 6417966
cyclopenta[c][2,1]benzoxazine
CID 70400701
1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline
CID 54062793
3-(1-benzofuran-7-yl)pyridazine
CID 175986904
5-pyridazin-3-ylfuran-2-carboxylic acid
CID 118477530
pyridazin-3-ylstannane
CID 87178968
5-pyridazin-3-yl-2,3-dihydrothiadiazole
CID 146613395
3,5-diphenyl-2,1-benzoxazole
CID 15446367
benzo[c]cinnoline;cinnoline
CID 70561425

Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-3-yl-2,1-benzoxazole?
The IUPAC name of 3-pyridazin-3-yl-2,1-benzoxazole (CID 10888861) is 3-pyridazin-3-yl-2,1-benzoxazole.
What is the SMILES notation for 3-pyridazin-3-yl-2,1-benzoxazole?
The canonical SMILES for 3-pyridazin-3-yl-2,1-benzoxazole is c1cnnc(-c2onc3ccccc23)c1.
What is the InChIKey of 3-pyridazin-3-yl-2,1-benzoxazole?
The InChIKey is JKGHSNPMXUXMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c1-2-5-9-8(4-1)11(15-14-9)10-6-3-7-12-13-10/h1-7H.
What are the key properties of 3-pyridazin-3-yl-2,1-benzoxazole?
3-pyridazin-3-yl-2,1-benzoxazole has a molecular weight of 197.20 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-3-yl-2,1-benzoxazole is sourced from PubChem (CID 10888861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).