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

C22H16Br2N2O4S — CID 18826048

IUPAC2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1cccc(Nc2oc(-c3ccc(Br)cc3)nc2S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C22H16Br2N2O4S/c1-29-18-4-2-3-17(13-18)25-21-22(31(27,28)19-11-9-16(24)10-12-19)26-20(30-21)14-5-7-15(23)8-6-14/h2-13,25H,1H3
InChIKeyKDHHJIROWXKCOQ-UHFFFAOYSA-N
MW564.26 g/mol
LogP6.45
Rot. Bonds6

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

2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine (PubChem CID 18826048) has the molecular formula C22H16Br2N2O4S and a molecular weight of 564.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
PubChem CID18826048
Molecular FormulaC22H16Br2N2O4S
Molecular Weight564.26 g/mol
Exact Mass561.92
IUPAC Name2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1cccc(Nc2oc(-c3ccc(Br)cc3)nc2S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C22H16Br2N2O4S/c1-29-18-4-2-3-17(13-18)25-21-22(31(27,28)19-11-9-16(24)10-12-19)26-20(30-21)14-5-7-15(23)8-6-14/h2-13,25H,1H3
InChIKeyKDHHJIROWXKCOQ-UHFFFAOYSA-N
XLogP6.45
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.26
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 4704871
4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine
CID 18825622
N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825642
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826852
4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826456
4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18825595
4-(benzenesulfonyl)-N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826989
2-(4-bromophenyl)-N-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825942
2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine
CID 18825997
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826947
4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 18827175
4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18825609

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine (CID 18826048) is 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine is COc1cccc(Nc2oc(-c3ccc(Br)cc3)nc2S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine?
The InChIKey is KDHHJIROWXKCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2N2O4S/c1-29-18-4-2-3-17(13-18)25-21-22(31(27,28)19-11-9-16(24)10-12-19)26-20(30-21)14-5-7-15(23)8-6-14/h2-13,25H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine?
2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine has a molecular weight of 564.26 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).