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

C20H23N5O2 — CID 56675706

IUPAC2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCCOc1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)co2)cc1
InChIInChI=1S/C20H23N5O2/c1-2-26-18-6-4-16(5-7-18)19-23-17(15-27-19)14-24-10-12-25(13-11-24)20-21-8-3-9-22-20/h3-9,15H,2,10-14H2,1H3
InChIKeyQCZJQCZBARGDQR-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.85
Rot. Bonds6

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

2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 56675706) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID56675706
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCCOc1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)co2)cc1
InChIInChI=1S/C20H23N5O2/c1-2-26-18-6-4-16(5-7-18)19-23-17(15-27-19)14-24-10-12-25(13-11-24)20-21-8-3-9-22-20/h3-9,15H,2,10-14H2,1H3
InChIKeyQCZJQCZBARGDQR-UHFFFAOYSA-N
XLogP2.85
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole
CID 136564269
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388
2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 56672810
2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 51076393
4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole
CID 56672741
1-(4-ethoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 51160406
N-ethyl-N'-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206161
2-(4-methoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-1,3-oxazole
CID 25449704
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 55591666
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111592089
4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol
CID 80703344

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 56675706) is 2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is CCOc1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)co2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is QCZJQCZBARGDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-26-18-6-4-16(5-7-18)19-23-17(15-27-19)14-24-10-12-25(13-11-24)20-21-8-3-9-22-20/h3-9,15H,2,10-14H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 365.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56675706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).