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

C15H20N4O2 — CID 37046511

IUPAC4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol
SMILESCCc1nnc(CN2CCN(c3ccc(O)cc3)CC2)o1
InChIInChI=1S/C15H20N4O2/c1-2-14-16-17-15(21-14)11-18-7-9-19(10-8-18)12-3-5-13(20)6-4-12/h3-6,20H,2,7-11H2,1H3
InChIKeyDPKMXHNEURXBFX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.66
Rot. Bonds4

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

4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol (PubChem CID 37046511) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol
PubChem CID37046511
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol
SMILESCCc1nnc(CN2CCN(c3ccc(O)cc3)CC2)o1
InChIInChI=1S/C15H20N4O2/c1-2-14-16-17-15(21-14)11-18-7-9-19(10-8-18)12-3-5-13(20)6-4-12/h3-6,20H,2,7-11H2,1H3
InChIKeyDPKMXHNEURXBFX-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol (CID 37046511) is 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol is CCc1nnc(CN2CCN(c3ccc(O)cc3)CC2)o1.
What is the InChIKey of 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol?
The InChIKey is DPKMXHNEURXBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-14-16-17-15(21-14)11-18-7-9-19(10-8-18)12-3-5-13(20)6-4-12/h3-6,20H,2,7-11H2,1H3.
What are the key properties of 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol?
4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol has a molecular weight of 288.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 37046511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).