5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole

C16H20N6OS — CID 35362430

IUPAC5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(-n2nnnc2SCc2noc(C(C)(C)C)n2)c1C
InChIInChI=1S/C16H20N6OS/c1-10-7-6-8-12(11(10)2)22-15(18-20-21-22)24-9-13-17-14(23-19-13)16(3,4)5/h6-8H,9H2,1-5H3
InChIKeyAUWSMFRCTHAVGP-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.25
Rot. Bonds4

About 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole

5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 35362430) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID35362430
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(-n2nnnc2SCc2noc(C(C)(C)C)n2)c1C
InChIInChI=1S/C16H20N6OS/c1-10-7-6-8-12(11(10)2)22-15(18-20-21-22)24-9-13-17-14(23-19-13)16(3,4)5/h6-8H,9H2,1-5H3
InChIKeyAUWSMFRCTHAVGP-UHFFFAOYSA-N
XLogP3.25
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 35362373
6-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 86907437
3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 27025355
[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane
CID 56529201
5-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 8798469
4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
CID 26643672
1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole
CID 60519571
5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 46575369
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]tetrazole
CID 55989184
5-tert-butyl-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 43056599
5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-(2,3-dimethylphenyl)tetrazole
CID 8799045
1-(2,3-dimethylphenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8798481

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 35362430) is 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole is Cc1cccc(-n2nnnc2SCc2noc(C(C)(C)C)n2)c1C.
What is the InChIKey of 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is AUWSMFRCTHAVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-10-7-6-8-12(11(10)2)22-15(18-20-21-22)24-9-13-17-14(23-19-13)16(3,4)5/h6-8H,9H2,1-5H3.
What are the key properties of 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 344.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 35362430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).