3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole

C14H16FN3OS — CID 66051278

IUPAC3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1ccccc1SCc1noc(C2CCNCC2)n1
InChIInChI=1S/C14H16FN3OS/c15-11-3-1-2-4-12(11)20-9-13-17-14(19-18-13)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2
InChIKeyNGZITMCVQJXDCL-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.97
Rot. Bonds4

About 3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole

3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 66051278) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID66051278
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1ccccc1SCc1noc(C2CCNCC2)n1
InChIInChI=1S/C14H16FN3OS/c15-11-3-1-2-4-12(11)20-9-13-17-14(19-18-13)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2
InChIKeyNGZITMCVQJXDCL-UHFFFAOYSA-N
XLogP2.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole (CID 66051278) is 3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole is Fc1ccccc1SCc1noc(C2CCNCC2)n1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is NGZITMCVQJXDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-11-3-1-2-4-12(11)20-9-13-17-14(19-18-13)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2.
What are the key properties of 3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole?
3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 293.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfanylmethyl]-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 66051278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).