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

C14H9FN6OS — CID 38957514

IUPAC3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1cccc(-c2nnn(Cc3noc(-c4cccs4)n3)n2)c1
InChIInChI=1S/C14H9FN6OS/c15-10-4-1-3-9(7-10)13-17-20-21(18-13)8-12-16-14(22-19-12)11-5-2-6-23-11/h1-7H,8H2
InChIKeyURZVJGSIGAVTOS-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.64
Rot. Bonds4

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

3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 38957514) has the molecular formula C14H9FN6OS and a molecular weight of 328.33 g/mol. Its IUPAC name is 3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID38957514
Molecular FormulaC14H9FN6OS
Molecular Weight328.33 g/mol
Exact Mass328.05
IUPAC Name3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1cccc(-c2nnn(Cc3noc(-c4cccs4)n3)n2)c1
InChIInChI=1S/C14H9FN6OS/c15-10-4-1-3-9(7-10)13-17-20-21(18-13)8-12-16-14(22-19-12)11-5-2-6-23-11/h1-7H,8H2
InChIKeyURZVJGSIGAVTOS-UHFFFAOYSA-N
XLogP2.64
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 38957514) is 3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole is Fc1cccc(-c2nnn(Cc3noc(-c4cccs4)n3)n2)c1.
What is the InChIKey of 3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is URZVJGSIGAVTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN6OS/c15-10-4-1-3-9(7-10)13-17-20-21(18-13)8-12-16-14(22-19-12)11-5-2-6-23-11/h1-7H,8H2.
What are the key properties of 3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 328.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 38957514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).