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

C15H11FN2OS — CID 783687

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccccc1CSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H11FN2OS/c16-13-9-5-4-8-12(13)10-20-15-18-17-14(19-15)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyCKIAVRVJDXOFFB-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.17
Rot. Bonds4

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

2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 783687) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID783687
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccccc1CSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H11FN2OS/c16-13-9-5-4-8-12(13)10-20-15-18-17-14(19-15)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyCKIAVRVJDXOFFB-UHFFFAOYSA-N
XLogP4.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259997
2-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 351190
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
1,3,4-Oxadiazole, 2-(2-methylphenyl)-5-phenyl-
CID 259999
2-(3-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259998
2-{[2-(1,3-Dioxan-2-yl)ethyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole
CID 697197
2-Phenyl-5-(phenylthio)-1,3,4-oxadiazole
CID 15323569
Methyl phenyl-1,3,4-oxadiazole
CID 138101
2,5-Bis(4-fluorophenyl)-1,3,4-oxadiazole
CID 259840
Butyl 2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-YL]sulfanyl}acetate
CID 3124448

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (CID 783687) is 2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is Fc1ccccc1CSc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is CKIAVRVJDXOFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-13-9-5-4-8-12(13)10-20-15-18-17-14(19-15)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 286.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 783687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).