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

C20H22N4O2 — CID 56680531

IUPAC2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCOc1cccc(-c2nc(CN3CCN(c4ccccn4)CC3)co2)c1
InChIInChI=1S/C20H22N4O2/c1-25-18-6-4-5-16(13-18)20-22-17(15-26-20)14-23-9-11-24(12-10-23)19-7-2-3-8-21-19/h2-8,13,15H,9-12,14H2,1H3
InChIKeyUGMXYBAVLAWLFF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.07
Rot. Bonds5

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

2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 56680531) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID56680531
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCOc1cccc(-c2nc(CN3CCN(c4ccccn4)CC3)co2)c1
InChIInChI=1S/C20H22N4O2/c1-25-18-6-4-5-16(13-18)20-22-17(15-26-20)14-23-9-11-24(12-10-23)19-7-2-3-8-21-19/h2-8,13,15H,9-12,14H2,1H3
InChIKeyUGMXYBAVLAWLFF-UHFFFAOYSA-N
XLogP3.07
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 56680531) is 2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is COc1cccc(-c2nc(CN3CCN(c4ccccn4)CC3)co2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is UGMXYBAVLAWLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-18-6-4-5-16(13-18)20-22-17(15-26-20)14-23-9-11-24(12-10-23)19-7-2-3-8-21-19/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 350.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56680531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).