2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol

C15H20N4O2 — CID 116808988

IUPAC2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
SMILESCN1CCN(c2noc(CC(O)c3ccccc3)n2)CC1
InChIInChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)15-16-14(21-17-15)11-13(20)12-5-3-2-4-6-12/h2-6,13,20H,7-11H2,1H3
InChIKeyVKIJCBVESSCNNB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.10
Rot. Bonds4

About 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol

2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol (PubChem CID 116808988) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
PubChem CID116808988
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
SMILESCN1CCN(c2noc(CC(O)c3ccccc3)n2)CC1
InChIInChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)15-16-14(21-17-15)11-13(20)12-5-3-2-4-6-12/h2-6,13,20H,7-11H2,1H3
InChIKeyVKIJCBVESSCNNB-UHFFFAOYSA-N
XLogP1.10
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 167920358
(R)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898845
(S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898844
2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 79094042
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116808973
N-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine
CID 116809245
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 63345170
4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116809545
3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116809557
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 55202211
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345566

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The IUPAC name of 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol (CID 116808988) is 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol.
What is the SMILES notation for 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The canonical SMILES for 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol is CN1CCN(c2noc(CC(O)c3ccccc3)n2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The InChIKey is VKIJCBVESSCNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)15-16-14(21-17-15)11-13(20)12-5-3-2-4-6-12/h2-6,13,20H,7-11H2,1H3.
What are the key properties of 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol has a molecular weight of 288.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol is sourced from PubChem (CID 116808988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).