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

C17H23N3O — CID 56675974

IUPAC4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole
SMILESCCN1CCN(Cc2coc(-c3ccccc3C)n2)CC1
InChIInChI=1S/C17H23N3O/c1-3-19-8-10-20(11-9-19)12-15-13-21-17(18-15)16-7-5-4-6-14(16)2/h4-7,13H,3,8-12H2,1-2H3
InChIKeyAVZQIEYALITIOB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.79
Rot. Bonds4

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

4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole (PubChem CID 56675974) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole
PubChem CID56675974
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole
SMILESCCN1CCN(Cc2coc(-c3ccccc3C)n2)CC1
InChIInChI=1S/C17H23N3O/c1-3-19-8-10-20(11-9-19)12-15-13-21-17(18-15)16-7-5-4-6-14(16)2/h4-7,13H,3,8-12H2,1-2H3
InChIKeyAVZQIEYALITIOB-UHFFFAOYSA-N
XLogP2.79
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole (CID 56675974) is 4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole is CCN1CCN(Cc2coc(-c3ccccc3C)n2)CC1.
What is the InChIKey of 4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole?
The InChIKey is AVZQIEYALITIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-19-8-10-20(11-9-19)12-15-13-21-17(18-15)16-7-5-4-6-14(16)2/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole?
4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole has a molecular weight of 285.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 56675974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).