5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole

C19H21N5O — CID 138027753

IUPAC5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1nccc(N2CCN(Cc3cnc(-c4ccccc4)o3)CC2)n1
InChIInChI=1S/C19H21N5O/c1-15-20-8-7-18(22-15)24-11-9-23(10-12-24)14-17-13-21-19(25-17)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyJVHQQBAFIXGRJW-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.76
Rot. Bonds4

About 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole

5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole (PubChem CID 138027753) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
PubChem CID138027753
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1nccc(N2CCN(Cc3cnc(-c4ccccc4)o3)CC2)n1
InChIInChI=1S/C19H21N5O/c1-15-20-8-7-18(22-15)24-11-9-23(10-12-24)14-17-13-21-19(25-17)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyJVHQQBAFIXGRJW-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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Related Compounds

5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902329
2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 171335725
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 171701112
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylpyrimidine
CID 63392077
[1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea
CID 146138459
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
3-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 138038766
2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 139029254
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
CID 136528453
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole (CID 138027753) is 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole is Cc1nccc(N2CCN(Cc3cnc(-c4ccccc4)o3)CC2)n1.
What is the InChIKey of 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The InChIKey is JVHQQBAFIXGRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-20-8-7-18(22-15)24-11-9-23(10-12-24)14-17-13-21-19(25-17)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-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 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 138027753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).