2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole

C22H21N5O — CID 56665290

IUPAC2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESc1cnc(N2CCN(Cc3coc(-c4cccc5ccccc45)n3)CC2)nc1
InChIInChI=1S/C22H21N5O/c1-2-7-19-17(5-1)6-3-8-20(19)21-25-18(16-28-21)15-26-11-13-27(14-12-26)22-23-9-4-10-24-22/h1-10,16H,11-15H2
InChIKeyZULYOHAEIXFQAJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.61
Rot. Bonds4

About 2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole

2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 56665290) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID56665290
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESc1cnc(N2CCN(Cc3coc(-c4cccc5ccccc45)n3)CC2)nc1
InChIInChI=1S/C22H21N5O/c1-2-7-19-17(5-1)6-3-8-20(19)21-25-18(16-28-21)15-26-11-13-27(14-12-26)22-23-9-4-10-24-22/h1-10,16H,11-15H2
InChIKeyZULYOHAEIXFQAJ-UHFFFAOYSA-N
XLogP3.61
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 56665290) is 2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is c1cnc(N2CCN(Cc3coc(-c4cccc5ccccc45)n3)CC2)nc1.
What is the InChIKey of 2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is ZULYOHAEIXFQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-2-7-19-17(5-1)6-3-8-20(19)21-25-18(16-28-21)15-26-11-13-27(14-12-26)22-23-9-4-10-24-22/h1-10,16H,11-15H2.
What are the key properties of 2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 371.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56665290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).