4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine

C24H21BrN2O4S — CID 18827175

IUPAC4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Br)cc3)c(NC(C)c3ccccc3)o2)cc1
InChIInChI=1S/C24H21BrN2O4S/c1-16(17-6-4-3-5-7-17)26-23-24(32(28,29)21-14-10-19(25)11-15-21)27-22(31-23)18-8-12-20(30-2)13-9-18/h3-16,26H,1-2H3
InChIKeyJKBFSQABSXDSSP-UHFFFAOYSA-N
MW513.41 g/mol
LogP6.12
Rot. Bonds7

About 4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine

4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine (PubChem CID 18827175) has the molecular formula C24H21BrN2O4S and a molecular weight of 513.41 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine
PubChem CID18827175
Molecular FormulaC24H21BrN2O4S
Molecular Weight513.41 g/mol
Exact Mass512.04
IUPAC Name4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Br)cc3)c(NC(C)c3ccccc3)o2)cc1
InChIInChI=1S/C24H21BrN2O4S/c1-16(17-6-4-3-5-7-17)26-23-24(32(28,29)21-14-10-19(25)11-15-21)27-22(31-23)18-8-12-20(30-2)13-9-18/h3-16,26H,1-2H3
InChIKeyJKBFSQABSXDSSP-UHFFFAOYSA-N
XLogP6.12
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.41
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 18827074
4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 2964757
4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 18825331
2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826048
4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827163
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 4704871
4-(4-bromophenyl)sulfonyl-2-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazol-5-amine
CID 18826304
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine
CID 18825792
4-(benzenesulfonyl)-N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826989
N-benzyl-2-(4-tert-butylphenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890276
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine (CID 18827175) is 4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine is COc1ccc(-c2nc(S(=O)(=O)c3ccc(Br)cc3)c(NC(C)c3ccccc3)o2)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine?
The InChIKey is JKBFSQABSXDSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O4S/c1-16(17-6-4-3-5-7-17)26-23-24(32(28,29)21-14-10-19(25)11-15-21)27-22(31-23)18-8-12-20(30-2)13-9-18/h3-16,26H,1-2H3.
What are the key properties of 4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine?
4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine has a molecular weight of 513.41 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18827175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).