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

C15H20N4O2 — CID 79665065

IUPAC4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCN1CCN(C)C(c2noc(Cc3ccc(O)cc3)n2)C1
InChIInChI=1S/C15H20N4O2/c1-18-7-8-19(2)13(10-18)15-16-14(21-17-15)9-11-3-5-12(20)6-4-11/h3-6,13,20H,7-10H2,1-2H3
InChIKeyQMQHHEKWEXLRQJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.28
Rot. Bonds3

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

4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 79665065) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID79665065
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCN1CCN(C)C(c2noc(Cc3ccc(O)cc3)n2)C1
InChIInChI=1S/C15H20N4O2/c1-18-7-8-19(2)13(10-18)15-16-14(21-17-15)9-11-3-5-12(20)6-4-11/h3-6,13,20H,7-10H2,1-2H3
InChIKeyQMQHHEKWEXLRQJ-UHFFFAOYSA-N
XLogP1.28
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-{1-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidinyl}ethyl)phenol
CID 16189531
4-[2-(1-{[3-(3-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-2-piperidinyl)ethyl]phenol
CID 45236201
1-Phenyl-2-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 53616187
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56779667
4-{2-[1-({3-[(Methylthio)methyl]-1,2,4-oxadiazol-5-yl}methyl)-2-piperidinyl]ethyl}phenol
CID 56896260
4-(2-{1-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidinyl}ethyl)phenol
CID 56906361
4-(2-{1-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidinyl}ethyl)phenol
CID 56907257
2-{[3-(3-Isobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl}-4-methylphenol
CID 50985036
N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 138009417
2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 164629474
4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 164630556
4-[[5-[(4-Fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 137547718

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 79665065) is 4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is CN1CCN(C)C(c2noc(Cc3ccc(O)cc3)n2)C1.
What is the InChIKey of 4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is QMQHHEKWEXLRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-7-8-19(2)13(10-18)15-16-14(21-17-15)9-11-3-5-12(20)6-4-11/h3-6,13,20H,7-10H2,1-2H3.
What are the key properties of 4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 288.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 79665065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).