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

C13H16FN5O2 — CID 139028738

IUPAC2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCC(Oc3ncc(F)cn3)CC2)o1
InChIInChI=1S/C13H16FN5O2/c1-9-17-18-12(20-9)8-19-4-2-11(3-5-19)21-13-15-6-10(14)7-16-13/h6-7,11H,2-5,8H2,1H3
InChIKeyLLDYWXLPBUQEBJ-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.35
Rot. Bonds4

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

2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 139028738) has the molecular formula C13H16FN5O2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID139028738
Molecular FormulaC13H16FN5O2
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC Name2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCC(Oc3ncc(F)cn3)CC2)o1
InChIInChI=1S/C13H16FN5O2/c1-9-17-18-12(20-9)8-19-4-2-11(3-5-19)21-13-15-6-10(14)7-16-13/h6-7,11H,2-5,8H2,1H3
InChIKeyLLDYWXLPBUQEBJ-UHFFFAOYSA-N
XLogP1.35
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 139028738) is 2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(CN2CCC(Oc3ncc(F)cn3)CC2)o1.
What is the InChIKey of 2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is LLDYWXLPBUQEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2/c1-9-17-18-12(20-9)8-19-4-2-11(3-5-19)21-13-15-6-10(14)7-16-13/h6-7,11H,2-5,8H2,1H3.
What are the key properties of 2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 293.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 139028738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).