2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone

C21H19ClN4O3 — CID 112845684

IUPAC2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1
InChIInChI=1S/C21H19ClN4O3/c22-17-3-1-15(2-4-17)13-20(27)25-9-11-26(12-10-25)21(28)18-14-19(29-24-18)16-5-7-23-8-6-16/h1-8,14H,9-13H2
InChIKeyLCRCSIHYIKNXRA-UHFFFAOYSA-N
MW410.86 g/mol
LogP2.92
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 112845684) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID112845684
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1
InChIInChI=1S/C21H19ClN4O3/c22-17-3-1-15(2-4-17)13-20(27)25-9-11-26(12-10-25)21(28)18-14-19(29-24-18)16-5-7-23-8-6-16/h1-8,14H,9-13H2
InChIKeyLCRCSIHYIKNXRA-UHFFFAOYSA-N
XLogP2.92
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844718
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112838842
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
(4-benzylsulfonylpiperazin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844842
1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone
CID 16878729
[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 112838896
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112845378
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110714939

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone (CID 112845684) is 2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is LCRCSIHYIKNXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c22-17-3-1-15(2-4-17)13-20(27)25-9-11-26(12-10-25)21(28)18-14-19(29-24-18)16-5-7-23-8-6-16/h1-8,14H,9-13H2.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 410.86 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 112845684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).