5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole

C17H28N6O — CID 129485828

IUPAC5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCc1nn(C)c(CC)c1CN1CCN(C)[C@@H](c2nc(C)no2)C1
InChIInChI=1S/C17H28N6O/c1-6-14-13(15(7-2)22(5)19-14)10-23-9-8-21(4)16(11-23)17-18-12(3)20-24-17/h16H,6-11H2,1-5H3/t16-/m1/s1
InChIKeyNILMMURFXLNCCO-MRXNPFEDSA-N
MW332.45 g/mol
LogP1.73
Rot. Bonds5

About 5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 129485828) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID129485828
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCc1nn(C)c(CC)c1CN1CCN(C)[C@@H](c2nc(C)no2)C1
InChIInChI=1S/C17H28N6O/c1-6-14-13(15(7-2)22(5)19-14)10-23-9-8-21(4)16(11-23)17-18-12(3)20-24-17/h16H,6-11H2,1-5H3/t16-/m1/s1
InChIKeyNILMMURFXLNCCO-MRXNPFEDSA-N
XLogP1.73
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2S)-4-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129485896
[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol
CID 128980571
3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129486090
4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 137213877
5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 126810966
3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 128979096
5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129484536
5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 129482170
3-methyl-5-[1-methyl-4-(oxepan-4-ylmethyl)piperazin-2-yl]-1,2,4-oxadiazole
CID 126831065
3-[[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]benzamide
CID 129346925
5-[(2S)-4-[2-(2-chlorophenoxy)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129351338
5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129009267

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 129485828) is 5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole is CCc1nn(C)c(CC)c1CN1CCN(C)[C@@H](c2nc(C)no2)C1.
What is the InChIKey of 5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is NILMMURFXLNCCO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N6O/c1-6-14-13(15(7-2)22(5)19-14)10-23-9-8-21(4)16(11-23)17-18-12(3)20-24-17/h16H,6-11H2,1-5H3/t16-/m1/s1.
What are the key properties of 5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 332.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129485828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).