[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C18H18ClN5O2 — CID 120879630

IUPAC[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1C1CNCCN1C(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C18H18ClN5O2/c1-23-8-7-21-17(23)15-11-20-6-9-24(15)18(25)14-10-16(26-22-14)12-2-4-13(19)5-3-12/h2-5,7-8,10,15,20H,6,9,11H2,1H3
InChIKeyZQZGIWPDOXWLMF-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.52
Rot. Bonds3

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

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120879630) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID120879630
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1C1CNCCN1C(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C18H18ClN5O2/c1-23-8-7-21-17(23)15-11-20-6-9-24(15)18(25)14-10-16(26-22-14)12-2-4-13(19)5-3-12/h2-5,7-8,10,15,20H,6,9,11H2,1H3
InChIKeyZQZGIWPDOXWLMF-UHFFFAOYSA-N
XLogP2.52
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 120878699
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877861
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
(4-chloro-1H-pyrrol-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877855
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
(3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880190
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(2-chloro-4,5-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878629
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877230
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 120879950
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 120879630) is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cn1ccnc1C1CNCCN1C(=O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is ZQZGIWPDOXWLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-23-8-7-21-17(23)15-11-20-6-9-24(15)18(25)14-10-16(26-22-14)12-2-4-13(19)5-3-12/h2-5,7-8,10,15,20H,6,9,11H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 371.83 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120879630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).