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

C14H18N4O2 — CID 116809545

IUPAC4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCN1CCN(c2noc(Cc3ccc(O)cc3)n2)CC1
InChIInChI=1S/C14H18N4O2/c1-17-6-8-18(9-7-17)14-15-13(20-16-14)10-11-2-4-12(19)5-3-11/h2-5,19H,6-10H2,1H3
InChIKeyQMEGWIMGXNNJIS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.12
Rot. Bonds3

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

4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 116809545) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID116809545
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCN1CCN(c2noc(Cc3ccc(O)cc3)n2)CC1
InChIInChI=1S/C14H18N4O2/c1-17-6-8-18(9-7-17)14-15-13(20-16-14)10-11-2-4-12(19)5-3-11/h2-5,19H,6-10H2,1H3
InChIKeyQMEGWIMGXNNJIS-UHFFFAOYSA-N
XLogP1.12
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79665065
3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116809557
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 116808988
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116808973
5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115079120
3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106527047
4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65199728
4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol
CID 116806831
3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one
CID 166304795
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63851274
2-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116807771
1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol
CID 138036471

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 116809545) is 4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is CN1CCN(c2noc(Cc3ccc(O)cc3)n2)CC1.
What is the InChIKey of 4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is QMEGWIMGXNNJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-6-8-18(9-7-17)14-15-13(20-16-14)10-11-2-4-12(19)5-3-11/h2-5,19H,6-10H2,1H3.
What are the key properties of 4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 274.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 116809545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).