5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole

C16H24N6O2 — CID 95338690

IUPAC5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCOc1ccnc(N2CCN([C@H](C)c3nc(CC)no3)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-4-13-18-15(24-20-13)12(3)21-8-10-22(11-9-21)16-17-7-6-14(19-16)23-5-2/h6-7,12H,4-5,8-11H2,1-3H3/t12-/m1/s1
InChIKeyQHOOHMNBAFHHJI-GFCCVEGCSA-N
MW332.41 g/mol
LogP1.70
Rot. Bonds6

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

5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 95338690) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID95338690
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCOc1ccnc(N2CCN([C@H](C)c3nc(CC)no3)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-4-13-18-15(24-20-13)12(3)21-8-10-22(11-9-21)16-17-7-6-14(19-16)23-5-2/h6-7,12H,4-5,8-11H2,1-3H3/t12-/m1/s1
InChIKeyQHOOHMNBAFHHJI-GFCCVEGCSA-N
XLogP1.70
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95160534
5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95299010
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
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
2-[4-(2-bromoethyl)piperazin-1-yl]-4-ethoxypyrimidine
CID 112639380
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
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360
5-[(1S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 51931920
3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 133311387
3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 133372388

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole (CID 95338690) is 5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole is CCOc1ccnc(N2CCN([C@H](C)c3nc(CC)no3)CC2)n1.
What is the InChIKey of 5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is QHOOHMNBAFHHJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-13-18-15(24-20-13)12(3)21-8-10-22(11-9-21)16-17-7-6-14(19-16)23-5-2/h6-7,12H,4-5,8-11H2,1-3H3/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 332.41 g/mol, XLogP of 1.70, 6 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-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 95338690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).