3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

C25H23ClN4OS — CID 46329627

IUPAC3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)n1
InChIInChI=1S/C25H23ClN4OS/c26-21-9-5-4-8-20(21)25-27-23(31-30-25)16-32-24-15-14-22(28-29-24)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h4-5,8-15,17H,1-3,6-7,16H2
InChIKeyQNCUMFSVNRLKIS-UHFFFAOYSA-N
MW463.01 g/mol
LogP7.19
Rot. Bonds6

About 3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 46329627) has the molecular formula C25H23ClN4OS and a molecular weight of 463.01 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID46329627
Molecular FormulaC25H23ClN4OS
Molecular Weight463.01 g/mol
Exact Mass462.13
IUPAC Name3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)n1
InChIInChI=1S/C25H23ClN4OS/c26-21-9-5-4-8-20(21)25-27-23(31-30-25)16-32-24-15-14-22(28-29-24)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h4-5,8-15,17H,1-3,6-7,16H2
InChIKeyQNCUMFSVNRLKIS-UHFFFAOYSA-N
XLogP7.19
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.01
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(2-chlorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 50786090
5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 46329629
3-(3,4-dimethoxyphenyl)-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 50786055
5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 46329488
5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9418012
3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 50786062
5-[[6-(4-bromophenyl)pyridazin-3-yl]sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 46329570
3-(1,3-benzodioxol-5-yl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 50786108
5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 46329621
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanamine
CID 63352508
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine
CID 106678927
5-[[6-(3-bromophenyl)pyridazin-3-yl]sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 50785995

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 46329627) is 3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole is Clc1ccccc1-c1noc(CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is QNCUMFSVNRLKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4OS/c26-21-9-5-4-8-20(21)25-27-23(31-30-25)16-32-24-15-14-22(28-29-24)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h4-5,8-15,17H,1-3,6-7,16H2.
What are the key properties of 3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 463.01 g/mol, XLogP of 7.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46329627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).