2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

C15H9FN4O2S2 — CID 2563873

IUPAC2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1
InChIInChI=1S/C15H9FN4O2S2/c16-10-5-3-9(4-6-10)13-18-17-12(21-13)8-24-15-20-19-14(22-15)11-2-1-7-23-11/h1-7H,8H2
InChIKeyNQWDNKCLSUAXEH-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.28
Rot. Bonds5

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

2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 2563873) has the molecular formula C15H9FN4O2S2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID2563873
Molecular FormulaC15H9FN4O2S2
Molecular Weight360.40 g/mol
Exact Mass360.02
IUPAC Name2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1
InChIInChI=1S/C15H9FN4O2S2/c16-10-5-3-9(4-6-10)13-18-17-12(21-13)8-24-15-20-19-14(22-15)11-2-1-7-23-11/h1-7H,8H2
InChIKeyNQWDNKCLSUAXEH-UHFFFAOYSA-N
XLogP4.28
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

7-Phenyl-1-(5-(thien-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-one
CID 24950842
1,3,4-Oxadiazole, 2-(4-methylphenyl)-5-(2-thienyl)-
CID 745354
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 2562819
2-[(2,5-Dibromo-3-thienyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 2744468
(E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-thiophen-2-ylprop-2-enoic acid
CID 5846306
2-(Benzylsulfanyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 646210
4-Fluorobenzoic acid 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester
CID 44460133
2,2,2-Trifluoro-1-(5-(5-p-tolyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl)ethanone
CID 44562605
2,2,2-Trifluoro-1-(5-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thiophen-2-yl)ethanone
CID 44562607
2,2,2-Trifluoro-1-(5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl)ethanone
CID 44563237
2-(2-Methylphenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 1488527
2-(4-Fluoro-benzylsulfanyl)-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 644516

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 2563873) is 2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is Fc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is NQWDNKCLSUAXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O2S2/c16-10-5-3-9(4-6-10)13-18-17-12(21-13)8-24-15-20-19-14(22-15)11-2-1-7-23-11/h1-7H,8H2.
What are the key properties of 2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 360.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2563873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).