2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole

C11H12FN3OS — CID 99833958

IUPAC2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(SCc2cncc(F)c2)o1
InChIInChI=1S/C11H12FN3OS/c1-2-3-10-14-15-11(16-10)17-7-8-4-9(12)6-13-5-8/h4-6H,2-3,7H2,1H3
InChIKeyXFSUWNDKNKKTBB-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.85
Rot. Bonds5

About 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole

2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole (PubChem CID 99833958) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole
PubChem CID99833958
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(SCc2cncc(F)c2)o1
InChIInChI=1S/C11H12FN3OS/c1-2-3-10-14-15-11(16-10)17-7-8-4-9(12)6-13-5-8/h4-6H,2-3,7H2,1H3
InChIKeyXFSUWNDKNKKTBB-UHFFFAOYSA-N
XLogP2.85
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole (CID 99833958) is 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole is CCCc1nnc(SCc2cncc(F)c2)o1.
What is the InChIKey of 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole?
The InChIKey is XFSUWNDKNKKTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-2-3-10-14-15-11(16-10)17-7-8-4-9(12)6-13-5-8/h4-6H,2-3,7H2,1H3.
What are the key properties of 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole?
2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole has a molecular weight of 253.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 99833958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).