5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole

C18H19N5O2 — CID 133299384

IUPAC5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccnc(N2CCC(c3nc(-c4ccccc4)no3)CC2)n1
InChIInChI=1S/C18H19N5O2/c1-24-15-7-10-19-18(20-15)23-11-8-14(9-12-23)17-21-16(22-25-17)13-5-3-2-4-6-13/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyMVJYFCYXUIKLQI-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.92
Rot. Bonds4

About 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole

5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 133299384) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID133299384
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccnc(N2CCC(c3nc(-c4ccccc4)no3)CC2)n1
InChIInChI=1S/C18H19N5O2/c1-24-15-7-10-19-18(20-15)23-11-8-14(9-12-23)17-21-16(22-25-17)13-5-3-2-4-6-13/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyMVJYFCYXUIKLQI-UHFFFAOYSA-N
XLogP2.92
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 133299384) is 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole is COc1ccnc(N2CCC(c3nc(-c4ccccc4)no3)CC2)n1.
What is the InChIKey of 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is MVJYFCYXUIKLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-24-15-7-10-19-18(20-15)23-11-8-14(9-12-23)17-21-16(22-25-17)13-5-3-2-4-6-13/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 337.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 133299384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).