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

C16H22N4O2 — CID 30596664

IUPAC4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
SMILESCCCc1noc(CN2CCN(c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C16H22N4O2/c1-2-3-15-17-16(22-18-15)12-19-8-10-20(11-9-19)13-4-6-14(21)7-5-13/h4-7,21H,2-3,8-12H2,1H3
InChIKeyUJIXUMBGEXXRAN-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.05
Rot. Bonds5

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

4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol (PubChem CID 30596664) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
PubChem CID30596664
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
SMILESCCCc1noc(CN2CCN(c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C16H22N4O2/c1-2-3-15-17-16(22-18-15)12-19-8-10-20(11-9-19)13-4-6-14(21)7-5-13/h4-7,21H,2-3,8-12H2,1H3
InChIKeyUJIXUMBGEXXRAN-UHFFFAOYSA-N
XLogP2.05
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol (CID 30596664) is 4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol is CCCc1noc(CN2CCN(c3ccc(O)cc3)CC2)n1.
What is the InChIKey of 4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol?
The InChIKey is UJIXUMBGEXXRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-3-15-17-16(22-18-15)12-19-8-10-20(11-9-19)13-4-6-14(21)7-5-13/h4-7,21H,2-3,8-12H2,1H3.
What are the key properties of 4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol?
4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol has a molecular weight of 302.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 30596664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).