5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

C16H18N6OS — CID 2927070

IUPAC5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1
InChIInChI=1S/C16H18N6OS/c1-3-7-12(8-4-1)15-17-14(23-19-15)11-24-16-18-20-21-22(16)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyWPENLLOICBPYIE-UHFFFAOYSA-N
MW342.43 g/mol
LogP3.52
Rot. Bonds5

About 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 2927070) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID2927070
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1
InChIInChI=1S/C16H18N6OS/c1-3-7-12(8-4-1)15-17-14(23-19-15)11-24-16-18-20-21-22(16)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyWPENLLOICBPYIE-UHFFFAOYSA-N
XLogP3.52
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-Phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 707117
3-(4-chlorophenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]methyl}-1,2,4-oxadiazole
CID 1257514
2-(4-Butyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 3180953
5-({[5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-YL]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16013231
2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 990955
5-[(1-Cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 4638058
2-(4-Benzyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 656223
3-(4-methylphenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]methyl}-1,2,4-oxadiazole
CID 1247872
2-[[4-Cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 2623396
2-[[4-Cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 7637238
5-[(1-Cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 18139830
Potassium 5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(3-phenylpropyl)-1,2,4-triazole-3-thiolate
CID 52949453

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (CID 2927070) is 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1.
What is the InChIKey of 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is WPENLLOICBPYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-3-7-12(8-4-1)15-17-14(23-19-15)11-24-16-18-20-21-22(16)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 342.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2927070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).