5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole

C17H23N3O — CID 119101583

IUPAC5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1oncc1CN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H23N3O/c1-15-17(13-18-21-15)14-20-11-9-19(10-12-20)8-7-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3
InChIKeyDGZOUSDVOBAMMK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.34
Rot. Bonds5

About 5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole

5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 119101583) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID119101583
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1oncc1CN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H23N3O/c1-15-17(13-18-21-15)14-20-11-9-19(10-12-20)8-7-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3
InChIKeyDGZOUSDVOBAMMK-UHFFFAOYSA-N
XLogP2.34
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole (CID 119101583) is 5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1oncc1CN1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is DGZOUSDVOBAMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-15-17(13-18-21-15)14-20-11-9-19(10-12-20)8-7-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3.
What are the key properties of 5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole?
5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 285.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 119101583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).