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

C22H16BrFN2O4S — CID 18826947

IUPAC4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(Nc2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H16BrFN2O4S/c1-29-16-10-8-15(9-11-16)25-21-22(31(27,28)17-12-6-14(23)7-13-17)26-20(30-21)18-4-2-3-5-19(18)24/h2-13,25H,1H3
InChIKeyDYGGJCLNVIVRGZ-UHFFFAOYSA-N
MW503.35 g/mol
LogP5.83
Rot. Bonds6

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

4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine (PubChem CID 18826947) has the molecular formula C22H16BrFN2O4S and a molecular weight of 503.35 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
PubChem CID18826947
Molecular FormulaC22H16BrFN2O4S
Molecular Weight503.35 g/mol
Exact Mass502.00
IUPAC Name4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(Nc2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H16BrFN2O4S/c1-29-16-10-8-15(9-11-16)25-21-22(31(27,28)17-12-6-14(23)7-13-17)26-20(30-21)18-4-2-3-5-19(18)24/h2-13,25H,1H3
InChIKeyDYGGJCLNVIVRGZ-UHFFFAOYSA-N
XLogP5.83
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.35
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
CID 18826949
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826852
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-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
CID 18826891
N-(4-methoxyphenyl)-2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825611
N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890234
4-(benzenesulfonyl)-N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826989
2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826048
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 18826933
4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18825609
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
CID 18826901

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine (CID 18826947) is 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine is COc1ccc(Nc2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The InChIKey is DYGGJCLNVIVRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrFN2O4S/c1-29-16-10-8-15(9-11-16)25-21-22(31(27,28)17-12-6-14(23)7-13-17)26-20(30-21)18-4-2-3-5-19(18)24/h2-13,25H,1H3.
What are the key properties of 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine?
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine has a molecular weight of 503.35 g/mol, XLogP of 5.83, 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-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).