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

C19H23N5O2S — CID 31532785

IUPAC3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(CSc3n[nH]c(CCC4CCCC4)n3)no2)cc1
InChIInChI=1S/C19H23N5O2S/c1-25-15-9-7-14(8-10-15)18-20-17(24-26-18)12-27-19-21-16(22-23-19)11-6-13-4-2-3-5-13/h7-10,13H,2-6,11-12H2,1H3,(H,21,22,23)
InChIKeyZKAJUOMADCYWIA-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.28
Rot. Bonds8

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

3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 31532785) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID31532785
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(CSc3n[nH]c(CCC4CCCC4)n3)no2)cc1
InChIInChI=1S/C19H23N5O2S/c1-25-15-9-7-14(8-10-15)18-20-17(24-26-18)12-27-19-21-16(22-23-19)11-6-13-4-2-3-5-13/h7-10,13H,2-6,11-12H2,1H3,(H,21,22,23)
InChIKeyZKAJUOMADCYWIA-UHFFFAOYSA-N
XLogP4.28
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-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
4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 38402601
5-(2-chlorophenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 24661635
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine
CID 42411301
5-(2-cyclopentylethyl)-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 35936454
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 16604619
6-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 16604662
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42411208
3-[(4-ethoxyphenyl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 55553266
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46695285
5-(4-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 31531671
5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 146064496

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 31532785) is 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(CSc3n[nH]c(CCC4CCCC4)n3)no2)cc1.
What is the InChIKey of 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is ZKAJUOMADCYWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-25-15-9-7-14(8-10-15)18-20-17(24-26-18)12-27-19-21-16(22-23-19)11-6-13-4-2-3-5-13/h7-10,13H,2-6,11-12H2,1H3,(H,21,22,23).
What are the key properties of 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 385.49 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 31532785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).