2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole

C21H24N4O2 — CID 56665006

IUPAC2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCCOc1cccc(-c2nc(CN3CCN(c4ccccn4)CC3)co2)c1
InChIInChI=1S/C21H24N4O2/c1-2-26-19-7-5-6-17(14-19)21-23-18(16-27-21)15-24-10-12-25(13-11-24)20-8-3-4-9-22-20/h3-9,14,16H,2,10-13,15H2,1H3
InChIKeyQGHHSBNIKUSTGD-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.46
Rot. Bonds6

About 2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole

2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 56665006) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID56665006
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCCOc1cccc(-c2nc(CN3CCN(c4ccccn4)CC3)co2)c1
InChIInChI=1S/C21H24N4O2/c1-2-26-19-7-5-6-17(14-19)21-23-18(16-27-21)15-24-10-12-25(13-11-24)20-8-3-4-9-22-20/h3-9,14,16H,2,10-13,15H2,1H3
InChIKeyQGHHSBNIKUSTGD-UHFFFAOYSA-N
XLogP3.46
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 56665006) is 2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is CCOc1cccc(-c2nc(CN3CCN(c4ccccn4)CC3)co2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is QGHHSBNIKUSTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-26-19-7-5-6-17(14-19)21-23-18(16-27-21)15-24-10-12-25(13-11-24)20-8-3-4-9-22-20/h3-9,14,16H,2,10-13,15H2,1H3.
What are the key properties of 2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 364.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56665006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).