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

C18H18FN5O — CID 72855908

IUPAC2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCc1ccnc(N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)n1
InChIInChI=1S/C18H18FN5O/c1-12-6-9-20-18(21-12)24-10-7-14(8-11-24)17-23-22-16(25-17)13-2-4-15(19)5-3-13/h2-6,9,14H,7-8,10-11H2,1H3
InChIKeyKBEUZZQMMSNZHP-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.36
Rot. Bonds3

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

2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 72855908) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID72855908
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCc1ccnc(N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)n1
InChIInChI=1S/C18H18FN5O/c1-12-6-9-20-18(21-12)24-10-7-14(8-11-24)17-23-22-16(25-17)13-2-4-15(19)5-3-13/h2-6,9,14H,7-8,10-11H2,1H3
InChIKeyKBEUZZQMMSNZHP-UHFFFAOYSA-N
XLogP3.36
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole (CID 72855908) is 2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole is Cc1ccnc(N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is KBEUZZQMMSNZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-12-6-9-20-18(21-12)24-10-7-14(8-11-24)17-23-22-16(25-17)13-2-4-15(19)5-3-13/h2-6,9,14H,7-8,10-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 339.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 72855908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).