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

C14H18N4O2 — CID 32825591

IUPAC2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
SMILESCc1noc(CN2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C14H18N4O2/c1-11-15-14(20-16-11)10-17-6-8-18(9-7-17)12-4-2-3-5-13(12)19/h2-5,19H,6-10H2,1H3
InChIKeyBMWKHPXJPQUSFV-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.41
Rot. Bonds3

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

2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol (PubChem CID 32825591) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
PubChem CID32825591
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
SMILESCc1noc(CN2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C14H18N4O2/c1-11-15-14(20-16-11)10-17-6-8-18(9-7-17)12-4-2-3-5-13(12)19/h2-5,19H,6-10H2,1H3
InChIKeyBMWKHPXJPQUSFV-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 27156351
2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 17440213
4-(2-hydroxyphenyl)-N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111185555
4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
CID 132969939
2-[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 78807327
3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
5-[[4-(3-ethoxy-2-nitrophenyl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 75522907
[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-4-nitrophenyl]methanol
CID 84597821
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 137264219
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 60503705
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol (CID 32825591) is 2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol is Cc1noc(CN2CCN(c3ccccc3O)CC2)n1.
What is the InChIKey of 2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol?
The InChIKey is BMWKHPXJPQUSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-15-14(20-16-11)10-17-6-8-18(9-7-17)12-4-2-3-5-13(12)19/h2-5,19H,6-10H2,1H3.
What are the key properties of 2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol?
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol has a molecular weight of 274.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 32825591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).