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

C16H14N6OS — CID 154840775

IUPAC3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESCc1ccccc1Cc1nnn(Cc2noc(-c3ccsc3)n2)n1
InChIInChI=1S/C16H14N6OS/c1-11-4-2-3-5-12(11)8-14-18-21-22(19-14)9-15-17-16(23-20-15)13-6-7-24-10-13/h2-7,10H,8-9H2,1H3
InChIKeyUKROFJGXTNEBOV-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.73
Rot. Bonds5

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

3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 154840775) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID154840775
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESCc1ccccc1Cc1nnn(Cc2noc(-c3ccsc3)n2)n1
InChIInChI=1S/C16H14N6OS/c1-11-4-2-3-5-12(11)8-14-18-21-22(19-14)9-15-17-16(23-20-15)13-6-7-24-10-13/h2-7,10H,8-9H2,1H3
InChIKeyUKROFJGXTNEBOV-UHFFFAOYSA-N
XLogP2.73
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 154840775) is 3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is Cc1ccccc1Cc1nnn(Cc2noc(-c3ccsc3)n2)n1.
What is the InChIKey of 3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is UKROFJGXTNEBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-11-4-2-3-5-12(11)8-14-18-21-22(19-14)9-15-17-16(23-20-15)13-6-7-24-10-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 338.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 154840775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).