2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole

C17H17N5O — CID 167842873

IUPAC2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole
SMILESc1coc(-c2ncc(-c3ccc(N4CCNCC4)cc3)cn2)n1
InChIInChI=1S/C17H17N5O/c1-3-15(22-8-5-18-6-9-22)4-2-13(1)14-11-20-16(21-12-14)17-19-7-10-23-17/h1-4,7,10-12,18H,5-6,8-9H2
InChIKeyGZONAUWQFULVMZ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.21
Rot. Bonds3

About 2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole

2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole (PubChem CID 167842873) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole
PubChem CID167842873
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole
SMILESc1coc(-c2ncc(-c3ccc(N4CCNCC4)cc3)cn2)n1
InChIInChI=1S/C17H17N5O/c1-3-15(22-8-5-18-6-9-22)4-2-13(1)14-11-20-16(21-12-14)17-19-7-10-23-17/h1-4,7,10-12,18H,5-6,8-9H2
InChIKeyGZONAUWQFULVMZ-UHFFFAOYSA-N
XLogP2.21
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole (CID 167842873) is 2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole is c1coc(-c2ncc(-c3ccc(N4CCNCC4)cc3)cn2)n1.
What is the InChIKey of 2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole?
The InChIKey is GZONAUWQFULVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-3-15(22-8-5-18-6-9-22)4-2-13(1)14-11-20-16(21-12-14)17-19-7-10-23-17/h1-4,7,10-12,18H,5-6,8-9H2.
What are the key properties of 2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole?
2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole has a molecular weight of 307.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 167842873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).