2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole

C17H11Cl2N5OS — CID 92644789

IUPAC2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nc(SCc2nnc(-c3ccccc3Cl)o2)n[nH]1
InChIInChI=1S/C17H11Cl2N5OS/c18-12-7-3-1-5-10(12)15-20-17(24-22-15)26-9-14-21-23-16(25-14)11-6-2-4-8-13(11)19/h1-8H,9H2,(H,20,22,24)
InChIKeyZACVKTSQXYEJDE-UHFFFAOYSA-N
MW404.28 g/mol
LogP5.12
Rot. Bonds5

About 2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 92644789) has the molecular formula C17H11Cl2N5OS and a molecular weight of 404.28 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID92644789
Molecular FormulaC17H11Cl2N5OS
Molecular Weight404.28 g/mol
Exact Mass403.01
IUPAC Name2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nc(SCc2nnc(-c3ccccc3Cl)o2)n[nH]1
InChIInChI=1S/C17H11Cl2N5OS/c18-12-7-3-1-5-10(12)15-20-17(24-22-15)26-9-14-21-23-16(25-14)11-6-2-4-8-13(11)19/h1-8H,9H2,(H,20,22,24)
InChIKeyZACVKTSQXYEJDE-UHFFFAOYSA-N
XLogP5.12
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.28
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenyl)-5-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 92644593
2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7857109
[5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629754
2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 41488022
2-(furan-2-yl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 8569855
5-(2-chlorophenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 24661635
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 172744451
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-ol
CID 112695503
2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 34246919
(1S)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1-phenylethanol
CID 97014842
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 8707948

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 92644789) is 2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole is Clc1ccccc1-c1nc(SCc2nnc(-c3ccccc3Cl)o2)n[nH]1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is ZACVKTSQXYEJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5OS/c18-12-7-3-1-5-10(12)15-20-17(24-22-15)26-9-14-21-23-16(25-14)11-6-2-4-8-13(11)19/h1-8H,9H2,(H,20,22,24).
What are the key properties of 2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 404.28 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 92644789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).