5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

C16H24N6O2 — CID 95299010

IUPAC5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCCOc1cc(C)nc(N2CCN([C@H](C)c3nc(C)no3)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-5-23-14-10-11(2)17-16(19-14)22-8-6-21(7-9-22)12(3)15-18-13(4)20-24-15/h10,12H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyHOJCFGJAJNTBJM-GFCCVEGCSA-N
MW332.41 g/mol
LogP1.76
Rot. Bonds5

About 5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 95299010) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID95299010
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCCOc1cc(C)nc(N2CCN([C@H](C)c3nc(C)no3)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-5-23-14-10-11(2)17-16(19-14)22-8-6-21(7-9-22)12(3)15-18-13(4)20-24-15/h10,12H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyHOJCFGJAJNTBJM-GFCCVEGCSA-N
XLogP1.76
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 95338690
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 86949257
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 133379177
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
(2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95293130
3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95160534
5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 133281442
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36643556
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634859
5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95587278

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 95299010) is 5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is CCOc1cc(C)nc(N2CCN([C@H](C)c3nc(C)no3)CC2)n1.
What is the InChIKey of 5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is HOJCFGJAJNTBJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-5-23-14-10-11(2)17-16(19-14)22-8-6-21(7-9-22)12(3)15-18-13(4)20-24-15/h10,12H,5-9H2,1-4H3/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 332.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 95299010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).