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

C14H13FN4O2S — CID 71926182

IUPAC3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1noc(CSCc2nc(Cc3ccc(F)cc3)no2)n1
InChIInChI=1S/C14H13FN4O2S/c1-9-16-13(20-18-9)7-22-8-14-17-12(19-21-14)6-10-2-4-11(15)5-3-10/h2-5H,6-8H2,1H3
InChIKeyNCFXUDPLSVCYTJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.92
Rot. Bonds6

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

3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 71926182) has the molecular formula C14H13FN4O2S and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
PubChem CID71926182
Molecular FormulaC14H13FN4O2S
Molecular Weight320.35 g/mol
Exact Mass320.07
IUPAC Name3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1noc(CSCc2nc(Cc3ccc(F)cc3)no2)n1
InChIInChI=1S/C14H13FN4O2S/c1-9-16-13(20-18-9)7-22-8-14-17-12(19-21-14)6-10-2-4-11(15)5-3-10/h2-5H,6-8H2,1H3
InChIKeyNCFXUDPLSVCYTJ-UHFFFAOYSA-N
XLogP2.92
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64670656
3-benzyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 78874035
2-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 113427915
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080575
1-amino-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002773
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 55202967
3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53191893
(3R)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propan-2-ylpyrrolidin-2-one
CID 97220378
N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63347693
N-[(4-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648024
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-4-amine
CID 43075409
3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216870

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole (CID 71926182) is 3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole is Cc1noc(CSCc2nc(Cc3ccc(F)cc3)no2)n1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is NCFXUDPLSVCYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S/c1-9-16-13(20-18-9)7-22-8-14-17-12(19-21-14)6-10-2-4-11(15)5-3-10/h2-5H,6-8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole?
3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 320.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71926182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).