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

C10H9FN2OS — CID 21234042

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(SCc2ccc(F)cc2)o1
InChIInChI=1S/C10H9FN2OS/c1-7-12-13-10(14-7)15-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKeyMWZDHQLWBFZJQA-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.81
Rot. Bonds3

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

2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 21234042) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
PubChem CID21234042
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(SCc2ccc(F)cc2)o1
InChIInChI=1S/C10H9FN2OS/c1-7-12-13-10(14-7)15-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKeyMWZDHQLWBFZJQA-UHFFFAOYSA-N
XLogP2.81
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(Phenylmethylthio)-1,3,4-oxadiazol-2-yl]ethylamine, chloride
CID 6602772
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
1-(4-Fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 2968706
2-((2-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234038
2-((3-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 52142401
2-{[(5-Methyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}benzonitrile
CID 6462949
2-{5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
CID 662925
2-{5-[(2-Fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
CID 663062
2-[5-(Benzylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 663078
N-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
CID 1438555

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole (CID 21234042) is 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(SCc2ccc(F)cc2)o1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is MWZDHQLWBFZJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-7-12-13-10(14-7)15-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole?
2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 224.26 g/mol, XLogP of 2.81, 3 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-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 21234042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).