4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine

C21H20BrClN2O3S — CID 4704846

IUPAC4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)oc1NC1CCCCC1
InChIInChI=1S/C21H20BrClN2O3S/c22-15-8-12-18(13-9-15)29(26,27)21-20(24-17-4-2-1-3-5-17)28-19(25-21)14-6-10-16(23)11-7-14/h6-13,17,24H,1-5H2
InChIKeyUQVAGFVDJXACTF-UHFFFAOYSA-N
MW495.83 g/mol
LogP6.33
Rot. Bonds5

About 4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine

4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine (PubChem CID 4704846) has the molecular formula C21H20BrClN2O3S and a molecular weight of 495.83 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine
PubChem CID4704846
Molecular FormulaC21H20BrClN2O3S
Molecular Weight495.83 g/mol
Exact Mass494.01
IUPAC Name4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)oc1NC1CCCCC1
InChIInChI=1S/C21H20BrClN2O3S/c22-15-8-12-18(13-9-15)29(26,27)21-20(24-17-4-2-1-3-5-17)28-19(25-21)14-6-10-16(23)11-7-14/h6-13,17,24H,1-5H2
InChIKeyUQVAGFVDJXACTF-UHFFFAOYSA-N
XLogP6.33
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.83
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827163
4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine
CID 18826709
2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
CID 18825952
2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine
CID 18825997
4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine
CID 18826075
4-(4-bromophenyl)sulfonyl-N-butyl-2-(4-chlorophenyl)-1,3-oxazol-5-amine
CID 4704826
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704848
N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 16649683
N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 16649797
4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine
CID 18824900
4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 4825655
4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 5098546

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine (CID 4704846) is 4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine is O=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)oc1NC1CCCCC1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine?
The InChIKey is UQVAGFVDJXACTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrClN2O3S/c22-15-8-12-18(13-9-15)29(26,27)21-20(24-17-4-2-1-3-5-17)28-19(25-21)14-6-10-16(23)11-7-14/h6-13,17,24H,1-5H2.
What are the key properties of 4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine?
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine has a molecular weight of 495.83 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine is sourced from PubChem (CID 4704846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).