2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol

C14H19N5O2 — CID 79663236

IUPAC2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1CCN(C)C(c2noc(-c3ccc(N)c(O)c3)n2)C1
InChIInChI=1S/C14H19N5O2/c1-18-5-6-19(2)11(8-18)13-16-14(21-17-13)9-3-4-10(15)12(20)7-9/h3-4,7,11,20H,5-6,8,15H2,1-2H3
InChIKeyTZZBUDAFTCQJPZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.94
Rot. Bonds2

About 2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol

2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 79663236) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID79663236
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1CCN(C)C(c2noc(-c3ccc(N)c(O)c3)n2)C1
InChIInChI=1S/C14H19N5O2/c1-18-5-6-19(2)11(8-18)13-16-14(21-17-13)9-3-4-10(15)12(20)7-9/h3-4,7,11,20H,5-6,8,15H2,1-2H3
InChIKeyTZZBUDAFTCQJPZ-UHFFFAOYSA-N
XLogP0.94
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline
CID 79663687
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 79659038
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 79659035
4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79665065
2-bromo-4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79078232
2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938053
4-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904480
2-amino-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 79963501
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 79663439
2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751355
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;hydrochloride
CID 120961396
2-fluoro-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79077241

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 79663236) is 2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol is CN1CCN(C)C(c2noc(-c3ccc(N)c(O)c3)n2)C1.
What is the InChIKey of 2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is TZZBUDAFTCQJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-18-5-6-19(2)11(8-18)13-16-14(21-17-13)9-3-4-10(15)12(20)7-9/h3-4,7,11,20H,5-6,8,15H2,1-2H3.
What are the key properties of 2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 289.34 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 79663236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).