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

C16H13FN2O2S — CID 2579385

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1
InChIInChI=1S/C16H13FN2O2S/c1-20-13-8-6-11(7-9-13)15-18-19-16(21-15)22-10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3
InChIKeyMTTNNOVEJRYSDP-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.18
Rot. Bonds5

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

2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 2579385) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID2579385
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1
InChIInChI=1S/C16H13FN2O2S/c1-20-13-8-6-11(7-9-13)15-18-19-16(21-15)22-10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3
InChIKeyMTTNNOVEJRYSDP-UHFFFAOYSA-N
XLogP4.18
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 2579385) is 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is MTTNNOVEJRYSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-20-13-8-6-11(7-9-13)15-18-19-16(21-15)22-10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 316.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2579385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).