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

C20H21N3O2 — CID 8528677

IUPAC2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H21N3O2/c24-18-9-5-4-8-17(18)23-12-10-22(11-13-23)15-20-21-14-19(25-20)16-6-2-1-3-7-16/h1-9,14,24H,10-13,15H2
InChIKeyQNKHADWLXZZQFS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.37
Rot. Bonds4

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

2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol (PubChem CID 8528677) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol
PubChem CID8528677
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H21N3O2/c24-18-9-5-4-8-17(18)23-12-10-22(11-13-23)15-20-21-14-19(25-20)16-6-2-1-3-7-16/h1-9,14,24H,10-13,15H2
InChIKeyQNKHADWLXZZQFS-UHFFFAOYSA-N
XLogP3.37
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol (CID 8528677) is 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol is Oc1ccccc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol?
The InChIKey is QNKHADWLXZZQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-18-9-5-4-8-17(18)23-12-10-22(11-13-23)15-20-21-14-19(25-20)16-6-2-1-3-7-16/h1-9,14,24H,10-13,15H2.
What are the key properties of 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol?
2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol has a molecular weight of 335.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 8528677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).