5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole

C13H14N4O2S — CID 25417374

IUPAC5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc2nc(S[C@@H](C)c3nc(C)no3)[nH]c2c1
InChIInChI=1S/C13H14N4O2S/c1-7(12-14-8(2)17-19-12)20-13-15-10-5-4-9(18-3)6-11(10)16-13/h4-7H,1-3H3,(H,15,16)/t7-/m0/s1
InChIKeyDBLTXEKUOKZQLW-ZETCQYMHSA-N
MW290.35 g/mol
LogP3.12
Rot. Bonds4

About 5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole

5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 25417374) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID25417374
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc2nc(S[C@@H](C)c3nc(C)no3)[nH]c2c1
InChIInChI=1S/C13H14N4O2S/c1-7(12-14-8(2)17-19-12)20-13-15-10-5-4-9(18-3)6-11(10)16-13/h4-7H,1-3H3,(H,15,16)/t7-/m0/s1
InChIKeyDBLTXEKUOKZQLW-ZETCQYMHSA-N
XLogP3.12
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

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2-[1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
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6-methoxy-2-propylsulfanyl-1H-benzimidazole
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5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole
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1-[(2R)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one
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2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
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5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 25417374) is 5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole is COc1ccc2nc(S[C@@H](C)c3nc(C)no3)[nH]c2c1.
What is the InChIKey of 5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is DBLTXEKUOKZQLW-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-7(12-14-8(2)17-19-12)20-13-15-10-5-4-9(18-3)6-11(10)16-13/h4-7H,1-3H3,(H,15,16)/t7-/m0/s1.
What are the key properties of 5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 290.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 25417374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).