3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine

C20H17FN6O — CID 20922544

IUPAC3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESFc1ccc(-c2noc3ncnc(N4CCN(c5ccccn5)CC4)c23)cc1
InChIInChI=1S/C20H17FN6O/c21-15-6-4-14(5-7-15)18-17-19(23-13-24-20(17)28-25-18)27-11-9-26(10-12-27)16-3-1-2-8-22-16/h1-8,13H,9-12H2
InChIKeyULCAMFVRNCAFDL-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.15
Rot. Bonds3

About 3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine

3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 20922544) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID20922544
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESFc1ccc(-c2noc3ncnc(N4CCN(c5ccccn5)CC4)c23)cc1
InChIInChI=1S/C20H17FN6O/c21-15-6-4-14(5-7-15)18-17-19(23-13-24-20(17)28-25-18)27-11-9-26(10-12-27)16-3-1-2-8-22-16/h1-8,13H,9-12H2
InChIKeyULCAMFVRNCAFDL-UHFFFAOYSA-N
XLogP3.15
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine (CID 20922544) is 3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine is Fc1ccc(-c2noc3ncnc(N4CCN(c5ccccn5)CC4)c23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is ULCAMFVRNCAFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c21-15-6-4-14(5-7-15)18-17-19(23-13-24-20(17)28-25-18)27-11-9-26(10-12-27)16-3-1-2-8-22-16/h1-8,13H,9-12H2.
What are the key properties of 3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 376.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 20922544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).