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

C20H23N5O — CID 25370203

IUPAC5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1cccc(-c2nc(CN3CCN(c4ncccn4)CC3)c(C)o2)c1
InChIInChI=1S/C20H23N5O/c1-15-5-3-6-17(13-15)19-23-18(16(2)26-19)14-24-9-11-25(12-10-24)20-21-7-4-8-22-20/h3-8,13H,9-12,14H2,1-2H3
InChIKeyGJUCOHVXNIIEDR-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.07
Rot. Bonds4

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

5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 25370203) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID25370203
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1cccc(-c2nc(CN3CCN(c4ncccn4)CC3)c(C)o2)c1
InChIInChI=1S/C20H23N5O/c1-15-5-3-6-17(13-15)19-23-18(16(2)26-19)14-24-9-11-25(12-10-24)20-21-7-4-8-22-20/h3-8,13H,9-12,14H2,1-2H3
InChIKeyGJUCOHVXNIIEDR-UHFFFAOYSA-N
XLogP3.07
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 25370203) is 5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is Cc1cccc(-c2nc(CN3CCN(c4ncccn4)CC3)c(C)o2)c1.
What is the InChIKey of 5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is GJUCOHVXNIIEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-5-3-6-17(13-15)19-23-18(16(2)26-19)14-24-9-11-25(12-10-24)20-21-7-4-8-22-20/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 349.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 25370203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).