5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole

C16H18N6OS — CID 2917256

IUPAC5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(Sc3nnnn3C3CCCCC3)n2)cc1
InChIInChI=1S/C16H18N6OS/c1-11-7-9-12(10-8-11)14-17-16(23-19-14)24-15-18-20-21-22(15)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKeyWDLYLBHFAOSPDW-UHFFFAOYSA-N
MW342.43 g/mol
LogP3.69
Rot. Bonds4

About 5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole

5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 2917256) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID2917256
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(Sc3nnnn3C3CCCCC3)n2)cc1
InChIInChI=1S/C16H18N6OS/c1-11-7-9-12(10-8-11)14-17-16(23-19-14)24-15-18-20-21-22(15)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKeyWDLYLBHFAOSPDW-UHFFFAOYSA-N
XLogP3.69
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 46515894
5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
CID 55132300
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32654652
6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile
CID 133391855
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(2,5-dimethylphenyl)ethanone
CID 1452203
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)ethanone
CID 5116710
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile
CID 107551334
7-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 9461574
(1S)-1-[3-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 78938021
(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 29276029
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylbenzoic acid
CID 55105953

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 2917256) is 5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(Sc3nnnn3C3CCCCC3)n2)cc1.
What is the InChIKey of 5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is WDLYLBHFAOSPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11-7-9-12(10-8-11)14-17-16(23-19-14)24-15-18-20-21-22(15)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3.
What are the key properties of 5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 342.43 g/mol, XLogP of 3.69, 4 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)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2917256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).