2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole

C10H10ClN3OS — CID 106921293

IUPAC2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(SCc2ccc(Cl)nn2)oc1C
InChIInChI=1S/C10H10ClN3OS/c1-6-7(2)15-10(12-6)16-5-8-3-4-9(11)14-13-8/h3-4H,5H2,1-2H3
InChIKeyXGDIQLRGCPBHTK-UHFFFAOYSA-N
MW255.73 g/mol
LogP3.03
Rot. Bonds3

About 2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole

2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 106921293) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
PubChem CID106921293
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(SCc2ccc(Cl)nn2)oc1C
InChIInChI=1S/C10H10ClN3OS/c1-6-7(2)15-10(12-6)16-5-8-3-4-9(11)14-13-8/h3-4H,5H2,1-2H3
InChIKeyXGDIQLRGCPBHTK-UHFFFAOYSA-N
XLogP3.03
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole (CID 106921293) is 2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(SCc2ccc(Cl)nn2)oc1C.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is XGDIQLRGCPBHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-6-7(2)15-10(12-6)16-5-8-3-4-9(11)14-13-8/h3-4H,5H2,1-2H3.
What are the key properties of 2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole?
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 255.73 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106921293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).