5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole

C8H12FN3O — CID 46917700

IUPAC5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2(F)CCCNC2)n1
InChIInChI=1S/C8H12FN3O/c1-6-11-7(13-12-6)8(9)3-2-4-10-5-8/h10H,2-5H2,1H3
InChIKeyFMWZOLRSJUNGCR-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.93
Rot. Bonds1

About 5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole

5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 46917700) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID46917700
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2(F)CCCNC2)n1
InChIInChI=1S/C8H12FN3O/c1-6-11-7(13-12-6)8(9)3-2-4-10-5-8/h10H,2-5H2,1H3
InChIKeyFMWZOLRSJUNGCR-UHFFFAOYSA-N
XLogP0.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole (CID 46917700) is 5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2(F)CCCNC2)n1.
What is the InChIKey of 5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is FMWZOLRSJUNGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-6-11-7(13-12-6)8(9)3-2-4-10-5-8/h10H,2-5H2,1H3.
What are the key properties of 5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole?
5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 185.20 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 46917700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).