2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole

C12H13FN2OS — CID 8708416

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(SCc2ccc(F)cc2)o1
InChIInChI=1S/C12H13FN2OS/c1-2-3-11-14-15-12(16-11)17-8-9-4-6-10(13)7-5-9/h4-7H,2-3,8H2,1H3
InChIKeyFVRUGOLIVHJLIZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.45
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole

2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole (PubChem CID 8708416) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole
PubChem CID8708416
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(SCc2ccc(F)cc2)o1
InChIInChI=1S/C12H13FN2OS/c1-2-3-11-14-15-12(16-11)17-8-9-4-6-10(13)7-5-9/h4-7H,2-3,8H2,1H3
InChIKeyFVRUGOLIVHJLIZ-UHFFFAOYSA-N
XLogP3.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-((2-Fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6603599
2-{5-[(4-Fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl}ethylamine, chloride
CID 6603348
2-Benzylsulfanyl-5-propan-2-yl-1,3,4-oxadiazole
CID 28564111
2-Benzylsulfanyl-5-cyclopentyl-1,3,4-oxadiazole
CID 52142687
2-Benzylsulfanyl-5-cyclohexyl-1,3,4-oxadiazole
CID 52142885
(1S)-1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-1-amine
CID 933242
1-(4-Fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 2968706
5-[5-[(4-Fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentan-1-amine
CID 3744589
2-Benzyl-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 3970926
3-[[5-[(2-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile
CID 53580855
2-(2-Ethoxyethylsulfanyl)-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 53592543
2-((2-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234038

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole (CID 8708416) is 2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole is CCCc1nnc(SCc2ccc(F)cc2)o1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole?
The InChIKey is FVRUGOLIVHJLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-2-3-11-14-15-12(16-11)17-8-9-4-6-10(13)7-5-9/h4-7H,2-3,8H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole?
2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole has a molecular weight of 252.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 8708416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).