3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C15H22N6O2 — CID 95160534

IUPAC3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc([C@H](C)N2CCN(c3nccc(OC)n3)CC2)n1
InChIInChI=1S/C15H22N6O2/c1-4-12-17-14(23-19-12)11(2)20-7-9-21(10-8-20)15-16-6-5-13(18-15)22-3/h5-6,11H,4,7-10H2,1-3H3/t11-/m0/s1
InChIKeyQFJFLIHQEZIIOI-NSHDSACASA-N
MW318.38 g/mol
LogP1.31
Rot. Bonds5

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

3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95160534) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95160534
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc([C@H](C)N2CCN(c3nccc(OC)n3)CC2)n1
InChIInChI=1S/C15H22N6O2/c1-4-12-17-14(23-19-12)11(2)20-7-9-21(10-8-20)15-16-6-5-13(18-15)22-3/h5-6,11H,4,7-10H2,1-3H3/t11-/m0/s1
InChIKeyQFJFLIHQEZIIOI-NSHDSACASA-N
XLogP1.31
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-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
4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 146125070
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95283702
3-ethyl-5-[(1R)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95283701
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931
5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 136515535
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47528091
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360
2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
CID 154772463

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95160534) is 3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is CCc1noc([C@H](C)N2CCN(c3nccc(OC)n3)CC2)n1.
What is the InChIKey of 3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is QFJFLIHQEZIIOI-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N6O2/c1-4-12-17-14(23-19-12)11(2)20-7-9-21(10-8-20)15-16-6-5-13(18-15)22-3/h5-6,11H,4,7-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 318.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95160534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).