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

C22H23BrN2O4S — CID 18827163

IUPAC4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Br)cc3)c(NC3CCCCC3)o2)cc1
InChIInChI=1S/C22H23BrN2O4S/c1-28-18-11-7-15(8-12-18)20-25-22(21(29-20)24-17-5-3-2-4-6-17)30(26,27)19-13-9-16(23)10-14-19/h7-14,17,24H,2-6H2,1H3
InChIKeyGJDHVJZOQLHZLD-UHFFFAOYSA-N
MW491.41 g/mol
LogP5.69
Rot. Bonds6

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

4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine (PubChem CID 18827163) has the molecular formula C22H23BrN2O4S and a molecular weight of 491.41 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
PubChem CID18827163
Molecular FormulaC22H23BrN2O4S
Molecular Weight491.41 g/mol
Exact Mass490.06
IUPAC Name4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Br)cc3)c(NC3CCCCC3)o2)cc1
InChIInChI=1S/C22H23BrN2O4S/c1-28-18-11-7-15(8-12-18)20-25-22(21(29-20)24-17-5-3-2-4-6-17)30(26,27)19-13-9-16(23)10-14-19/h7-14,17,24H,2-6H2,1H3
InChIKeyGJDHVJZOQLHZLD-UHFFFAOYSA-N
XLogP5.69
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.41
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine (CID 18827163) is 4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine is COc1ccc(-c2nc(S(=O)(=O)c3ccc(Br)cc3)c(NC3CCCCC3)o2)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The InChIKey is GJDHVJZOQLHZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O4S/c1-28-18-11-7-15(8-12-18)20-25-22(21(29-20)24-17-5-3-2-4-6-17)30(26,27)19-13-9-16(23)10-14-19/h7-14,17,24H,2-6H2,1H3.
What are the key properties of 4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine?
4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine has a molecular weight of 491.41 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18827163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).