5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole

C18H19Cl2N5O — CID 166364103

IUPAC5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCn1ccnc1N1CCN(Cc2ncc(-c3cccc(Cl)c3Cl)o2)CC1
InChIInChI=1S/C18H19Cl2N5O/c1-23-6-5-21-18(23)25-9-7-24(8-10-25)12-16-22-11-15(26-16)13-3-2-4-14(19)17(13)20/h2-6,11H,7-10,12H2,1H3
InChIKeyIFNKJINOLLKEKZ-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.70
Rot. Bonds4

About 5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole

5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 166364103) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID166364103
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCn1ccnc1N1CCN(Cc2ncc(-c3cccc(Cl)c3Cl)o2)CC1
InChIInChI=1S/C18H19Cl2N5O/c1-23-6-5-21-18(23)25-9-7-24(8-10-25)12-16-22-11-15(26-16)13-3-2-4-14(19)17(13)20/h2-6,11H,7-10,12H2,1H3
InChIKeyIFNKJINOLLKEKZ-UHFFFAOYSA-N
XLogP3.70
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole with MolForge

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Related Compounds

[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine
CID 65179957
5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole
CID 126791858
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179221
2-(2,3-dichlorophenyl)-1-methylimidazole
CID 110540593
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181406
5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 110170884
5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 110170883
5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 78808140
2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole
CID 126791585
3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62132366
1-(1-methylimidazol-2-yl)piperidine;dihydrochloride
CID 141222572
1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907746

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole (CID 166364103) is 5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole is Cn1ccnc1N1CCN(Cc2ncc(-c3cccc(Cl)c3Cl)o2)CC1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is IFNKJINOLLKEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-23-6-5-21-18(23)25-9-7-24(8-10-25)12-16-22-11-15(26-16)13-3-2-4-14(19)17(13)20/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole?
5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 392.29 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 166364103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).