5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole

C19H26N8O — CID 133311377

IUPAC5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(c3cncc(-n4nc(C)cc4C)n3)CC2)n1
InChIInChI=1S/C19H26N8O/c1-5-16-21-19(28-24-16)15(4)25-6-8-26(9-7-25)17-11-20-12-18(22-17)27-14(3)10-13(2)23-27/h10-12,15H,5-9H2,1-4H3
InChIKeyNUMFMUDNBVCNGO-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.11
Rot. Bonds5

About 5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole

5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 133311377) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID133311377
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(c3cncc(-n4nc(C)cc4C)n3)CC2)n1
InChIInChI=1S/C19H26N8O/c1-5-16-21-19(28-24-16)15(4)25-6-8-26(9-7-25)17-11-20-12-18(22-17)27-14(3)10-13(2)23-27/h10-12,15H,5-9H2,1-4H3
InChIKeyNUMFMUDNBVCNGO-UHFFFAOYSA-N
XLogP2.11
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133273839
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrazine
CID 133273834
5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133328477
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-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95283702
5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 136515535
5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 133281442
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860
N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide
CID 127282369
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931
3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 133311387
4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 129396999

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole (CID 133311377) is 5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(C(C)N2CCN(c3cncc(-n4nc(C)cc4C)n3)CC2)n1.
What is the InChIKey of 5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is NUMFMUDNBVCNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-5-16-21-19(28-24-16)15(4)25-6-8-26(9-7-25)17-11-20-12-18(22-17)27-14(3)10-13(2)23-27/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 382.47 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 133311377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).