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

C12H22N4O2 — CID 95333025

IUPAC2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCOCCN1CCN(Cc2nnc(C)o2)C[C@H]1C
InChIInChI=1S/C12H22N4O2/c1-10-8-15(4-5-16(10)6-7-17-3)9-12-14-13-11(2)18-12/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyCPQWYZMPBNHUPD-SNVBAGLBSA-N
MW254.33 g/mol
LogP0.53
Rot. Bonds5

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

2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 95333025) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID95333025
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCOCCN1CCN(Cc2nnc(C)o2)C[C@H]1C
InChIInChI=1S/C12H22N4O2/c1-10-8-15(4-5-16(10)6-7-17-3)9-12-14-13-11(2)18-12/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyCPQWYZMPBNHUPD-SNVBAGLBSA-N
XLogP0.53
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56802281
2-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-benzoxazole
CID 95351742
2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 86895024
1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 71932947
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419
4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 95332203
4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine
CID 103577122
4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 131186330
2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 51078850
(2R)-1-(2-methoxyethyl)-4-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperazine
CID 95350389
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine
CID 63249055
N-[4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95333136

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 95333025) is 2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is COCCN1CCN(Cc2nnc(C)o2)C[C@H]1C.
What is the InChIKey of 2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is CPQWYZMPBNHUPD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10-8-15(4-5-16(10)6-7-17-3)9-12-14-13-11(2)18-12/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 254.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 95333025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).