2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

C17H13FN4O3S2 — CID 24573761

IUPAC2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCC(Oc1ccccc1F)c1nnc(SCc2nc(-c3cccs3)no2)o1
InChIInChI=1S/C17H13FN4O3S2/c1-10(23-12-6-3-2-5-11(12)18)16-20-21-17(24-16)27-9-14-19-15(22-25-14)13-7-4-8-26-13/h2-8,10H,9H2,1H3
InChIKeyCHBFFNNDFZNFRQ-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.75
Rot. Bonds7

About 2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 24573761) has the molecular formula C17H13FN4O3S2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID24573761
Molecular FormulaC17H13FN4O3S2
Molecular Weight404.45 g/mol
Exact Mass404.04
IUPAC Name2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCC(Oc1ccccc1F)c1nnc(SCc2nc(-c3cccs3)no2)o1
InChIInChI=1S/C17H13FN4O3S2/c1-10(23-12-6-3-2-5-11(12)18)16-20-21-17(24-16)27-9-14-19-15(22-25-14)13-7-4-8-26-13/h2-8,10H,9H2,1H3
InChIKeyCHBFFNNDFZNFRQ-UHFFFAOYSA-N
XLogP4.75
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 18138266
2-(4-chlorophenyl)-5-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 42988332
5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 46329488
1-[3-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone
CID 7421528
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazole
CID 41075823
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 35526015
1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 40862860
4-propan-2-yl-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 63089919
3-methoxy-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79827133
2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 7421479
2-(2-fluorophenyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 8522890
2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 43238093

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 24573761) is 2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is CC(Oc1ccccc1F)c1nnc(SCc2nc(-c3cccs3)no2)o1.
What is the InChIKey of 2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is CHBFFNNDFZNFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S2/c1-10(23-12-6-3-2-5-11(12)18)16-20-21-17(24-16)27-9-14-19-15(22-25-14)13-7-4-8-26-13/h2-8,10H,9H2,1H3.
What are the key properties of 2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 404.45 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenoxy)ethyl]-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 24573761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).