5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole

C15H21FN6O2 — CID 86817561

IUPAC5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCCc1ncnc(N2CCN(Cc3nc(COC)no3)CC2)c1F
InChIInChI=1S/C15H21FN6O2/c1-3-11-14(16)15(18-10-17-11)22-6-4-21(5-7-22)8-13-19-12(9-23-2)20-24-13/h10H,3-9H2,1-2H3
InChIKeyDXRSDNFOXLATFE-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.03
Rot. Bonds6

About 5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole

5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 86817561) has the molecular formula C15H21FN6O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID86817561
Molecular FormulaC15H21FN6O2
Molecular Weight336.37 g/mol
Exact Mass336.17
IUPAC Name5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCCc1ncnc(N2CCN(Cc3nc(COC)no3)CC2)c1F
InChIInChI=1S/C15H21FN6O2/c1-3-11-14(16)15(18-10-17-11)22-6-4-21(5-7-22)8-13-19-12(9-23-2)20-24-13/h10H,3-9H2,1-2H3
InChIKeyDXRSDNFOXLATFE-UHFFFAOYSA-N
XLogP1.03
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 86817561) is 5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole is CCc1ncnc(N2CCN(Cc3nc(COC)no3)CC2)c1F.
What is the InChIKey of 5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is DXRSDNFOXLATFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6O2/c1-3-11-14(16)15(18-10-17-11)22-6-4-21(5-7-22)8-13-19-12(9-23-2)20-24-13/h10H,3-9H2,1-2H3.
What are the key properties of 5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 336.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 86817561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).