3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole

C19H21N5O — CID 36921264

IUPAC3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCc1ccc(-c2cc(CN3CCN(c4ncccn4)CC3)on2)cc1
InChIInChI=1S/C19H21N5O/c1-15-3-5-16(6-4-15)18-13-17(25-22-18)14-23-9-11-24(12-10-23)19-20-7-2-8-21-19/h2-8,13H,9-12,14H2,1H3
InChIKeyHWJMIQBQOYWYPQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.76
Rot. Bonds4

About 3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole

3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 36921264) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID36921264
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCc1ccc(-c2cc(CN3CCN(c4ncccn4)CC3)on2)cc1
InChIInChI=1S/C19H21N5O/c1-15-3-5-16(6-4-15)18-13-17(25-22-18)14-23-9-11-24(12-10-23)19-20-7-2-8-21-19/h2-8,13H,9-12,14H2,1H3
InChIKeyHWJMIQBQOYWYPQ-UHFFFAOYSA-N
XLogP2.76
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole (CID 36921264) is 3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole is Cc1ccc(-c2cc(CN3CCN(c4ncccn4)CC3)on2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is HWJMIQBQOYWYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-3-5-16(6-4-15)18-13-17(25-22-18)14-23-9-11-24(12-10-23)19-20-7-2-8-21-19/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 335.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 36921264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).