4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole

C20H18BrClN2O3S — CID 18889915

IUPAC4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc(-c2cccc(Cl)c2)oc1N1CCCCC1
InChIInChI=1S/C20H18BrClN2O3S/c21-15-7-9-17(10-8-15)28(25,26)19-20(24-11-2-1-3-12-24)27-18(23-19)14-5-4-6-16(22)13-14/h4-10,13H,1-3,11-12H2
InChIKeyREEYMQLINUGHEZ-UHFFFAOYSA-N
MW481.80 g/mol
LogP5.58
Rot. Bonds4

About 4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole

4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole (PubChem CID 18889915) has the molecular formula C20H18BrClN2O3S and a molecular weight of 481.80 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole
PubChem CID18889915
Molecular FormulaC20H18BrClN2O3S
Molecular Weight481.80 g/mol
Exact Mass479.99
IUPAC Name4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc(-c2cccc(Cl)c2)oc1N1CCCCC1
InChIInChI=1S/C20H18BrClN2O3S/c21-15-7-9-17(10-8-15)28(25,26)19-20(24-11-2-1-3-12-24)27-18(23-19)14-5-4-6-16(22)13-14/h4-10,13H,1-3,11-12H2
InChIKeyREEYMQLINUGHEZ-UHFFFAOYSA-N
XLogP5.58
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.80
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole
CID 4290601
2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
CID 18825952
2-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18890246
2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
CID 18825898
5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazole
CID 18826464
5-[4-(3-chlorophenyl)piperazin-1-yl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazole
CID 18825223
4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine
CID 1206113
2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 16650047
4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
CID 18824750
5-(azepan-1-yl)-2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazole
CID 2139826
5-(azepan-1-yl)-2-(4-chlorophenyl)-4-(4-ethylphenyl)sulfonyl-1,3-oxazole
CID 18890386
2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-piperidin-1-yl-1,3-oxazole
CID 16649702

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole (CID 18889915) is 4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole is O=S(=O)(c1ccc(Br)cc1)c1nc(-c2cccc(Cl)c2)oc1N1CCCCC1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole?
The InChIKey is REEYMQLINUGHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O3S/c21-15-7-9-17(10-8-15)28(25,26)19-20(24-11-2-1-3-12-24)27-18(23-19)14-5-4-6-16(22)13-14/h4-10,13H,1-3,11-12H2.
What are the key properties of 4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole?
4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole has a molecular weight of 481.80 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole is sourced from PubChem (CID 18889915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).