5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C15H20N6O2 — CID 47528091

IUPAC5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOc1ccnc(N2CCN(Cc3noc(C4CC4)n3)CC2)n1
InChIInChI=1S/C15H20N6O2/c1-22-13-4-5-16-15(18-13)21-8-6-20(7-9-21)10-12-17-14(23-19-12)11-2-3-11/h4-5,11H,2-3,6-10H2,1H3
InChIKeyAYBGVPFSMSSAQL-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.07
Rot. Bonds5

About 5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 47528091) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID47528091
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOc1ccnc(N2CCN(Cc3noc(C4CC4)n3)CC2)n1
InChIInChI=1S/C15H20N6O2/c1-22-13-4-5-16-15(18-13)21-8-6-20(7-9-21)10-12-17-14(23-19-12)11-2-3-11/h4-5,11H,2-3,6-10H2,1H3
InChIKeyAYBGVPFSMSSAQL-UHFFFAOYSA-N
XLogP1.07
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 47528091) is 5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is COc1ccnc(N2CCN(Cc3noc(C4CC4)n3)CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is AYBGVPFSMSSAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-22-13-4-5-16-15(18-13)21-8-6-20(7-9-21)10-12-17-14(23-19-12)11-2-3-11/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of 5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 316.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47528091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).