2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine

C21H19N5O — CID 46259287

IUPAC2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine
SMILESc1ccc(-c2nc3cnc(N4CCN(c5ccccc5)CC4)nc3o2)cc1
InChIInChI=1S/C21H19N5O/c1-3-7-16(8-4-1)19-23-18-15-22-21(24-20(18)27-19)26-13-11-25(12-14-26)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyFSUZXYXEOOMBJV-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.61
Rot. Bonds3

About 2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine

2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 46259287) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID46259287
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine
SMILESc1ccc(-c2nc3cnc(N4CCN(c5ccccc5)CC4)nc3o2)cc1
InChIInChI=1S/C21H19N5O/c1-3-7-16(8-4-1)19-23-18-15-22-21(24-20(18)27-19)26-13-11-25(12-14-26)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyFSUZXYXEOOMBJV-UHFFFAOYSA-N
XLogP3.61
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
CID 71256258
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 91888334
5-chloro-2-phenyl-[1,3]oxazolo[5,4-b]pyridine;2-phenyl-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
CID 161077471
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143912
5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337949
N-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine
CID 50744385
2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
CID 62859583
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 171989140
1-(4-phenylphenyl)aziridine
CID 152682568

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine (CID 46259287) is 2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine is c1ccc(-c2nc3cnc(N4CCN(c5ccccc5)CC4)nc3o2)cc1.
What is the InChIKey of 2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is FSUZXYXEOOMBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-3-7-16(8-4-1)19-23-18-15-22-21(24-20(18)27-19)26-13-11-25(12-14-26)17-9-5-2-6-10-17/h1-10,15H,11-14H2.
What are the key properties of 2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine?
2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 357.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 46259287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).