2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole

C15H11FN2OS — CID 53495022

IUPAC2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(SCc3ccccc3)o2)c1
InChIInChI=1S/C15H11FN2OS/c16-13-8-4-7-12(9-13)14-17-18-15(19-14)20-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyHEYNZIONDZUEGU-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.17
Rot. Bonds4

About 2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole

2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 53495022) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID53495022
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(SCc3ccccc3)o2)c1
InChIInChI=1S/C15H11FN2OS/c16-13-8-4-7-12(9-13)14-17-18-15(19-14)20-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyHEYNZIONDZUEGU-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

2-(3-fluorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859893
3-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 53495040
2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 78762558
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 859864
2-(3-methylphenyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7417780
2-[(3-fluorophenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 9344535
2-(4-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 1168111
2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71212253
2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 717082
2-benzylsulfanyl-5-(4-iodophenyl)-1,3,4-oxadiazole
CID 19060735
2-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7534146
2-benzylsulfanyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 56970576

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 53495022) is 2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole is Fc1cccc(-c2nnc(SCc3ccccc3)o2)c1.
What is the InChIKey of 2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is HEYNZIONDZUEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-13-8-4-7-12(9-13)14-17-18-15(19-14)20-10-11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-benzylsulfanyl-5-(3-fluorophenyl)-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-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53495022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).