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

C21H22N4O2 — CID 35574203

IUPAC(5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C21H22N4O2/c26-21(19-16-20(27-23-19)17-6-2-1-3-7-17)25-14-12-24(13-15-25)11-9-18-8-4-5-10-22-18/h1-8,10,16H,9,11-15H2
InChIKeyWMUBQZDXYURUCU-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.74
Rot. Bonds5

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

(5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 35574203) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
PubChem CID35574203
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C21H22N4O2/c26-21(19-16-20(27-23-19)17-6-2-1-3-7-17)25-14-12-24(13-15-25)11-9-18-8-4-5-10-22-18/h1-8,10,16H,9,11-15H2
InChIKeyWMUBQZDXYURUCU-UHFFFAOYSA-N
XLogP2.74
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 71702362
[5-(5-bromothiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 71700586
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110888415
4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 119251838
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719
(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 35036906
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
[(3S)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292828
[(3R)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292827

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone (CID 35574203) is (5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccccc2)on1)N1CCN(CCc2ccccn2)CC1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is WMUBQZDXYURUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(19-16-20(27-23-19)17-6-2-1-3-7-17)25-14-12-24(13-15-25)11-9-18-8-4-5-10-22-18/h1-8,10,16H,9,11-15H2.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
(5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 35574203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).