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

C17H22N4O2 — CID 94381252

IUPAC4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H22N4O2/c1-12(17-18-16(19-23-17)13-2-3-13)20-8-10-21(11-9-20)14-4-6-15(22)7-5-14/h4-7,12-13,22H,2-3,8-11H2,1H3/t12-/m0/s1
InChIKeyYBCQCDKLRZBYPI-LBPRGKRZSA-N
MW314.39 g/mol
LogP2.54
Rot. Bonds4

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

4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol (PubChem CID 94381252) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
PubChem CID94381252
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H22N4O2/c1-12(17-18-16(19-23-17)13-2-3-13)20-8-10-21(11-9-20)14-4-6-15(22)7-5-14/h4-7,12-13,22H,2-3,8-11H2,1H3/t12-/m0/s1
InChIKeyYBCQCDKLRZBYPI-LBPRGKRZSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol (CID 94381252) is 4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol is C[C@@H](c1nc(C2CC2)no1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol?
The InChIKey is YBCQCDKLRZBYPI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(17-18-16(19-23-17)13-2-3-13)20-8-10-21(11-9-20)14-4-6-15(22)7-5-14/h4-7,12-13,22H,2-3,8-11H2,1H3/t12-/m0/s1.
What are the key properties of 4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol?
4-[4-[(1S)-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 4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 94381252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).