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

C20H18BrFN2O3S — CID 18825898

IUPAC2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)oc1N1CCCCC1
InChIInChI=1S/C20H18BrFN2O3S/c21-15-6-4-14(5-7-15)18-23-19(20(27-18)24-12-2-1-3-13-24)28(25,26)17-10-8-16(22)9-11-17/h4-11H,1-3,12-13H2
InChIKeyWUCZSENLZYBASC-UHFFFAOYSA-N
MW465.34 g/mol
LogP5.07
Rot. Bonds4

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

2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole (PubChem CID 18825898) has the molecular formula C20H18BrFN2O3S and a molecular weight of 465.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
PubChem CID18825898
Molecular FormulaC20H18BrFN2O3S
Molecular Weight465.34 g/mol
Exact Mass464.02
IUPAC Name2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)oc1N1CCCCC1
InChIInChI=1S/C20H18BrFN2O3S/c21-15-6-4-14(5-7-15)18-23-19(20(27-18)24-12-2-1-3-13-24)28(25,26)17-10-8-16(22)9-11-17/h4-11H,1-3,12-13H2
InChIKeyWUCZSENLZYBASC-UHFFFAOYSA-N
XLogP5.07
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-oxazole
CID 18825915
2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
CID 18825952
4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole
CID 18889915
4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
CID 18824750
5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazole
CID 18826464
5-(azepan-1-yl)-4-(4-fluorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazole
CID 5267327
2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-oxazole
CID 18826180
5-(azepan-1-yl)-4-(4-ethylphenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 18890366
5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2964756
[4-[2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 51045458
4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
CID 18824739
5-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 18825451

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole?
The IUPAC name of 2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole (CID 18825898) is 2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole.
What is the SMILES notation for 2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole?
The canonical SMILES for 2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole is O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)oc1N1CCCCC1.
What is the InChIKey of 2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole?
The InChIKey is WUCZSENLZYBASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN2O3S/c21-15-6-4-14(5-7-15)18-23-19(20(27-18)24-12-2-1-3-13-24)28(25,26)17-10-8-16(22)9-11-17/h4-11H,1-3,12-13H2.
What are the key properties of 2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole?
2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole has a molecular weight of 465.34 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole is sourced from PubChem (CID 18825898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).