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

C23H18BrFN2O4S — CID 18826949

IUPAC4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
SMILESCCOc1ccc(Nc2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H18BrFN2O4S/c1-2-30-17-11-9-16(10-12-17)26-22-23(32(28,29)18-13-7-15(24)8-14-18)27-21(31-22)19-5-3-4-6-20(19)25/h3-14,26H,2H2,1H3
InChIKeyJRSVVRXSWPYIPS-UHFFFAOYSA-N
MW517.38 g/mol
LogP6.22
Rot. Bonds7

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

4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine (PubChem CID 18826949) has the molecular formula C23H18BrFN2O4S and a molecular weight of 517.38 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
PubChem CID18826949
Molecular FormulaC23H18BrFN2O4S
Molecular Weight517.38 g/mol
Exact Mass516.02
IUPAC Name4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
SMILESCCOc1ccc(Nc2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H18BrFN2O4S/c1-2-30-17-11-9-16(10-12-17)26-22-23(32(28,29)18-13-7-15(24)8-14-18)27-21(31-22)19-5-3-4-6-20(19)25/h3-14,26H,2H2,1H3
InChIKeyJRSVVRXSWPYIPS-UHFFFAOYSA-N
XLogP6.22
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.38
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826947
2-(4-bromophenyl)-N-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825942
4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
CID 18826756
2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826806
4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 18825777
4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
CID 18826891
2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
CID 18826150
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826852
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 18826933
N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826375
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
CID 18826901
N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890234

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine (CID 18826949) is 4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine is CCOc1ccc(Nc2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine?
The InChIKey is JRSVVRXSWPYIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN2O4S/c1-2-30-17-11-9-16(10-12-17)26-22-23(32(28,29)18-13-7-15(24)8-14-18)27-21(31-22)19-5-3-4-6-20(19)25/h3-14,26H,2H2,1H3.
What are the key properties of 4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine?
4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine has a molecular weight of 517.38 g/mol, XLogP of 6.22, 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-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).