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

C15H9FN4O2S — CID 53153663

IUPAC2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Cc3nc(-c4cccs4)no3)o2)cc1
InChIInChI=1S/C15H9FN4O2S/c16-10-5-3-9(4-6-10)15-19-18-13(21-15)8-12-17-14(20-22-12)11-2-1-7-23-11/h1-7H,8H2
InChIKeyXTCLUHSBOAFOKS-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.58
Rot. Bonds4

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

2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole (PubChem CID 53153663) has the molecular formula C15H9FN4O2S and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
PubChem CID53153663
Molecular FormulaC15H9FN4O2S
Molecular Weight328.33 g/mol
Exact Mass328.04
IUPAC Name2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Cc3nc(-c4cccs4)no3)o2)cc1
InChIInChI=1S/C15H9FN4O2S/c16-10-5-3-9(4-6-10)15-19-18-13(21-15)8-12-17-14(20-22-12)11-2-1-7-23-11/h1-7H,8H2
InChIKeyXTCLUHSBOAFOKS-UHFFFAOYSA-N
XLogP3.58
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 18138266
2-(3,4-dimethylphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153635
2-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 53153654
2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153603
4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
2-(3,5-difluorophenyl)-5-[[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153729
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]propanamide
CID 24505024
2-(3,4-dimethoxyphenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153580
5-(4-fluorophenyl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3,4-oxadiazol-2-one
CID 17451834
2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153712
N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698799
3-[4-(4-fluorophenoxy)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53103359

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole (CID 53153663) is 2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole is Fc1ccc(-c2nnc(Cc3nc(-c4cccs4)no3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is XTCLUHSBOAFOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O2S/c16-10-5-3-9(4-6-10)15-19-18-13(21-15)8-12-17-14(20-22-12)11-2-1-7-23-11/h1-7H,8H2.
What are the key properties of 2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 328.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53153663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).