4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole

C22H23BrN2O3S — CID 18825443

IUPAC4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole
SMILESCC1CC(C)CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C22H23BrN2O3S/c1-15-12-16(2)14-25(13-15)22-21(24-20(28-22)17-6-4-3-5-7-17)29(26,27)19-10-8-18(23)9-11-19/h3-11,15-16H,12-14H2,1-2H3
InChIKeyBIVGARBIDJUNBP-UHFFFAOYSA-N
MW475.41 g/mol
LogP5.42
Rot. Bonds4

About 4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole

4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole (PubChem CID 18825443) has the molecular formula C22H23BrN2O3S and a molecular weight of 475.41 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole
PubChem CID18825443
Molecular FormulaC22H23BrN2O3S
Molecular Weight475.41 g/mol
Exact Mass474.06
IUPAC Name4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole
SMILESCC1CC(C)CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C22H23BrN2O3S/c1-15-12-16(2)14-25(13-15)22-21(24-20(28-22)17-6-4-3-5-7-17)29(26,27)19-10-8-18(23)9-11-19/h3-11,15-16H,12-14H2,1-2H3
InChIKeyBIVGARBIDJUNBP-UHFFFAOYSA-N
XLogP5.42
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.41
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole (CID 18825443) is 4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole is CC1CC(C)CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole?
The InChIKey is BIVGARBIDJUNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O3S/c1-15-12-16(2)14-25(13-15)22-21(24-20(28-22)17-6-4-3-5-7-17)29(26,27)19-10-8-18(23)9-11-19/h3-11,15-16H,12-14H2,1-2H3.
What are the key properties of 4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole?
4-(4-bromophenyl)sulfonyl-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole has a molecular weight of 475.41 g/mol, XLogP of 5.42, 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-5-(3,5-dimethylpiperidin-1-yl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 18825443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).