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

C16H16ClN5OS — CID 24661727

IUPAC5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESClc1ccccc1-c1nc(CSc2n[nH]c(C3CCCC3)n2)no1
InChIInChI=1S/C16H16ClN5OS/c17-12-8-4-3-7-11(12)15-18-13(22-23-15)9-24-16-19-14(20-21-16)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20,21)
InChIKeyZBJUUSVCLLFHJL-UHFFFAOYSA-N
MW361.86 g/mol
LogP4.46
Rot. Bonds5

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

5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 24661727) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID24661727
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC Name5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESClc1ccccc1-c1nc(CSc2n[nH]c(C3CCCC3)n2)no1
InChIInChI=1S/C16H16ClN5OS/c17-12-8-4-3-7-11(12)15-18-13(22-23-15)9-24-16-19-14(20-21-16)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20,21)
InChIKeyZBJUUSVCLLFHJL-UHFFFAOYSA-N
XLogP4.46
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(2-chlorophenyl)-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 24661728
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)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43248934
5-cyclopentyl-3-[(4-phenylphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 16604586
5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24661609
5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 18144165
5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 18144154
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
[5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 167972533
5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 46574980
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
CID 106672141
5-(2-chlorophenyl)-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24661714

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 24661727) is 5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole is Clc1ccccc1-c1nc(CSc2n[nH]c(C3CCCC3)n2)no1.
What is the InChIKey of 5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is ZBJUUSVCLLFHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c17-12-8-4-3-7-11(12)15-18-13(22-23-15)9-24-16-19-14(20-21-16)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20,21).
What are the key properties of 5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 361.86 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 24661727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).