2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole

C18H17FN2O2S — CID 166559562

IUPAC2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole
SMILESFc1ccc(OCc2nnc(CSCCc3ccccc3)o2)cc1
InChIInChI=1S/C18H17FN2O2S/c19-15-6-8-16(9-7-15)22-12-17-20-21-18(23-17)13-24-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyVLWHSJRBEKDHCG-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.26
Rot. Bonds8

About 2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole

2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 166559562) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID166559562
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole
SMILESFc1ccc(OCc2nnc(CSCCc3ccccc3)o2)cc1
InChIInChI=1S/C18H17FN2O2S/c19-15-6-8-16(9-7-15)22-12-17-20-21-18(23-17)13-24-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyVLWHSJRBEKDHCG-UHFFFAOYSA-N
XLogP4.26
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole (CID 166559562) is 2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole is Fc1ccc(OCc2nnc(CSCCc3ccccc3)o2)cc1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is VLWHSJRBEKDHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c19-15-6-8-16(9-7-15)22-12-17-20-21-18(23-17)13-24-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole?
2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 344.41 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 166559562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).