[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

C21H22N4O3 — CID 46458534

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1
InChIInChI=1S/C21H22N4O3/c1-2-27-19-8-4-3-7-18(19)24-10-12-25(13-11-24)21(26)17-14-20(28-23-17)16-6-5-9-22-15-16/h3-9,14-15H,2,10-13H2,1H3
InChIKeyYDOXCPFOMAMTPO-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.10
Rot. Bonds5

About [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (PubChem CID 46458534) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
PubChem CID46458534
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1
InChIInChI=1S/C21H22N4O3/c1-2-27-19-8-4-3-7-18(19)24-10-12-25(13-11-24)21(26)17-14-20(28-23-17)16-6-5-9-22-15-16/h3-9,14-15H,2,10-13H2,1H3
InChIKeyYDOXCPFOMAMTPO-UHFFFAOYSA-N
XLogP3.10
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 53032686
(5-pyridin-3-yl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334447
(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
CID 87019769
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38414706
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 15998425
N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
CID 87017159
(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 50760121
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 122342481
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991
(4-benzylsulfonylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 119105556

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (CID 46458534) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is CCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is YDOXCPFOMAMTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-27-19-8-4-3-7-18(19)24-10-12-25(13-11-24)21(26)17-14-20(28-23-17)16-6-5-9-22-15-16/h3-9,14-15H,2,10-13H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 378.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 46458534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).