2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole

C20H19BrClN3O3S — CID 17488115

IUPAC2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C20H19BrClN3O3S/c21-16-3-7-18(8-4-16)29(26,27)25-11-9-24(10-12-25)14-20-23-13-19(28-20)15-1-5-17(22)6-2-15/h1-8,13H,9-12,14H2
InChIKeyXBFHAFZJVZUMMJ-UHFFFAOYSA-N
MW496.81 g/mol
LogP4.26
Rot. Bonds5

About 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole

2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole (PubChem CID 17488115) has the molecular formula C20H19BrClN3O3S and a molecular weight of 496.81 g/mol. Its IUPAC name is 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole
PubChem CID17488115
Molecular FormulaC20H19BrClN3O3S
Molecular Weight496.81 g/mol
Exact Mass495.00
IUPAC Name2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C20H19BrClN3O3S/c21-16-3-7-18(8-4-16)29(26,27)25-11-9-24(10-12-25)14-20-23-13-19(28-20)15-1-5-17(22)6-2-15/h1-8,13H,9-12,14H2
InChIKeyXBFHAFZJVZUMMJ-UHFFFAOYSA-N
XLogP4.26
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.81
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 9036895
4-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26432406
4-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 8681785
5-(3-chlorophenyl)-2-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 60500597
1-(4-chlorophenyl)sulfonyl-4-[(3-chloro-4-pyridinyl)methyl]piperazine
CID 126766793
5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 8748084
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062017
5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902380
6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 55831602
1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 1122511
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030493
1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole?
The IUPAC name of 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole (CID 17488115) is 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole is O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole?
The InChIKey is XBFHAFZJVZUMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClN3O3S/c21-16-3-7-18(8-4-16)29(26,27)25-11-9-24(10-12-25)14-20-23-13-19(28-20)15-1-5-17(22)6-2-15/h1-8,13H,9-12,14H2.
What are the key properties of 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole?
2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole has a molecular weight of 496.81 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 17488115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).