3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole

C15H12N6OS — CID 38870720

IUPAC3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nnn(Cc3noc(-c4ccsc4)n3)n2)cc1
InChIInChI=1S/C15H12N6OS/c1-10-2-4-11(5-3-10)14-17-20-21(18-14)8-13-16-15(22-19-13)12-6-7-23-9-12/h2-7,9H,8H2,1H3
InChIKeyYSBLLFHESFFJQN-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.81
Rot. Bonds4

About 3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole

3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 38870720) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID38870720
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nnn(Cc3noc(-c4ccsc4)n3)n2)cc1
InChIInChI=1S/C15H12N6OS/c1-10-2-4-11(5-3-10)14-17-20-21(18-14)8-13-16-15(22-19-13)12-6-7-23-9-12/h2-7,9H,8H2,1H3
InChIKeyYSBLLFHESFFJQN-UHFFFAOYSA-N
XLogP2.81
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 38870720) is 3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is Cc1ccc(-c2nnn(Cc3noc(-c4ccsc4)n3)n2)cc1.
What is the InChIKey of 3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is YSBLLFHESFFJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c1-10-2-4-11(5-3-10)14-17-20-21(18-14)8-13-16-15(22-19-13)12-6-7-23-9-12/h2-7,9H,8H2,1H3.
What are the key properties of 3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 324.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 38870720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).