(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol

C12H22N4O2 — CID 111488176

IUPAC(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCN(Cc2nc(C)no2)CC1
InChIInChI=1S/C12H22N4O2/c1-3-11(17)8-15-4-6-16(7-5-15)9-12-13-10(2)14-18-12/h11,17H,3-9H2,1-2H3/t11-/m1/s1
InChIKeySUDJYZYSIXCNLG-LLVKDONJSA-N
MW254.33 g/mol
LogP0.27
Rot. Bonds5

About (2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol

(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol (PubChem CID 111488176) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
PubChem CID111488176
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCN(Cc2nc(C)no2)CC1
InChIInChI=1S/C12H22N4O2/c1-3-11(17)8-15-4-6-16(7-5-15)9-12-13-10(2)14-18-12/h11,17H,3-9H2,1-2H3/t11-/m1/s1
InChIKeySUDJYZYSIXCNLG-LLVKDONJSA-N
XLogP0.27
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol with MolForge

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Related Compounds

5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 86804175
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 126853112
3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 163350275
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
CID 61014735
[(1S,3R)-3-aminocyclopentyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 124696345
3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol
CID 111489691
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105108
3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole
CID 155265008

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol (CID 111488176) is (2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol is CC[C@@H](O)CN1CCN(Cc2nc(C)no2)CC1.
What is the InChIKey of (2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol?
The InChIKey is SUDJYZYSIXCNLG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-11(17)8-15-4-6-16(7-5-15)9-12-13-10(2)14-18-12/h11,17H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol?
(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 111488176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).