5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole

C15H20FN5O2 — CID 139028776

IUPAC5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CCC(Oc3ncc(F)cn3)CC2)n1
InChIInChI=1S/C15H20FN5O2/c1-10(2)14-19-13(23-20-14)9-21-5-3-12(4-6-21)22-15-17-7-11(16)8-18-15/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyWCOCFNMKGDXQCT-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.17
Rot. Bonds5

About 5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 139028776) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is 5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID139028776
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CCC(Oc3ncc(F)cn3)CC2)n1
InChIInChI=1S/C15H20FN5O2/c1-10(2)14-19-13(23-20-14)9-21-5-3-12(4-6-21)22-15-17-7-11(16)8-18-15/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyWCOCFNMKGDXQCT-UHFFFAOYSA-N
XLogP2.17
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 139028776) is 5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(CN2CCC(Oc3ncc(F)cn3)CC2)n1.
What is the InChIKey of 5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is WCOCFNMKGDXQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-10(2)14-19-13(23-20-14)9-21-5-3-12(4-6-21)22-15-17-7-11(16)8-18-15/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of 5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 321.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 139028776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).