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

C19H21N5O — CID 56665014

IUPAC2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1cccc(-c2nc(CN3CCN(c4ncccn4)CC3)co2)c1
InChIInChI=1S/C19H21N5O/c1-15-4-2-5-16(12-15)18-22-17(14-25-18)13-23-8-10-24(11-9-23)19-20-6-3-7-21-19/h2-7,12,14H,8-11,13H2,1H3
InChIKeyPCMMIDZFKJYOKB-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.76
Rot. Bonds4

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

2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 56665014) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID56665014
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1cccc(-c2nc(CN3CCN(c4ncccn4)CC3)co2)c1
InChIInChI=1S/C19H21N5O/c1-15-4-2-5-16(12-15)18-22-17(14-25-18)13-23-8-10-24(11-9-23)19-20-6-3-7-21-19/h2-7,12,14H,8-11,13H2,1H3
InChIKeyPCMMIDZFKJYOKB-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 2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 56665014) is 2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is Cc1cccc(-c2nc(CN3CCN(c4ncccn4)CC3)co2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is PCMMIDZFKJYOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-4-2-5-16(12-15)18-22-17(14-25-18)13-23-8-10-24(11-9-23)19-20-6-3-7-21-19/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-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 2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56665014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).