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

C18H20FN5O2 — CID 53191893

IUPAC3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCCCN2Cc2nc(Cc3ccc(F)cc3)no2)n1
InChIInChI=1S/C18H20FN5O2/c1-12-20-18(26-22-12)15-4-2-3-9-24(15)11-17-21-16(23-25-17)10-13-5-7-14(19)8-6-13/h5-8,15H,2-4,9-11H2,1H3
InChIKeyPQGZTHABRSVOCL-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.22
Rot. Bonds5

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

3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 53191893) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID53191893
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCCCN2Cc2nc(Cc3ccc(F)cc3)no2)n1
InChIInChI=1S/C18H20FN5O2/c1-12-20-18(26-22-12)15-4-2-3-9-24(15)11-17-21-16(23-25-17)10-13-5-7-14(19)8-6-13/h5-8,15H,2-4,9-11H2,1H3
InChIKeyPQGZTHABRSVOCL-UHFFFAOYSA-N
XLogP3.22
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 53191893) is 3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1noc(C2CCCCN2Cc2nc(Cc3ccc(F)cc3)no2)n1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is PQGZTHABRSVOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-12-20-18(26-22-12)15-4-2-3-9-24(15)11-17-21-16(23-25-17)10-13-5-7-14(19)8-6-13/h5-8,15H,2-4,9-11H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 357.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53191893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).