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

C17H22N4O2 — CID 47053061

IUPAC2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
SMILESCC(c1nc(C2CC2)no1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H22N4O2/c1-12(17-18-16(19-23-17)13-6-7-13)20-8-10-21(11-9-20)14-4-2-3-5-15(14)22/h2-5,12-13,22H,6-11H2,1H3
InChIKeyPARDZBRNWRKBKB-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.54
Rot. Bonds4

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

2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol (PubChem CID 47053061) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
PubChem CID47053061
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
SMILESCC(c1nc(C2CC2)no1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H22N4O2/c1-12(17-18-16(19-23-17)13-6-7-13)20-8-10-21(11-9-20)14-4-2-3-5-15(14)22/h2-5,12-13,22H,6-11H2,1H3
InChIKeyPARDZBRNWRKBKB-UHFFFAOYSA-N
XLogP2.54
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
CID 47053030
4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
CID 94381252
3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95155264
3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 47053059
4-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-fluorobenzonitrile
CID 94817229
4-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-fluorobenzonitrile
CID 51107143
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023
5-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 60501468
3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 71996537
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenol
CID 86993111
1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94189858
cyclopentyl-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 94394067

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol (CID 47053061) is 2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol is CC(c1nc(C2CC2)no1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol?
The InChIKey is PARDZBRNWRKBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(17-18-16(19-23-17)13-6-7-13)20-8-10-21(11-9-20)14-4-2-3-5-15(14)22/h2-5,12-13,22H,6-11H2,1H3.
What are the key properties of 2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol?
2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol has a molecular weight of 314.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 47053061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).