4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide

C24H21BrN6O4S — CID 155927058

IUPAC4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCNc1nccc(-c2c(-c3cccc(O)c3)nc3occn23)n1)c1ccc(Br)cc1
InChIInChI=1S/C24H21BrN6O4S/c25-17-5-7-19(8-6-17)36(33,34)28-11-2-10-26-23-27-12-9-20(29-23)22-21(16-3-1-4-18(32)15-16)30-24-31(22)13-14-35-24/h1,3-9,12-15,28,32H,2,10-11H2,(H,26,27,29)
InChIKeyWOKZLFHEBTUSPQ-UHFFFAOYSA-N
MW569.44 g/mol
LogP4.30
Rot. Bonds9

About 4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide

4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide (PubChem CID 155927058) has the molecular formula C24H21BrN6O4S and a molecular weight of 569.44 g/mol. Its IUPAC name is 4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
PubChem CID155927058
Molecular FormulaC24H21BrN6O4S
Molecular Weight569.44 g/mol
Exact Mass568.05
IUPAC Name4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCNc1nccc(-c2c(-c3cccc(O)c3)nc3occn23)n1)c1ccc(Br)cc1
InChIInChI=1S/C24H21BrN6O4S/c25-17-5-7-19(8-6-17)36(33,34)28-11-2-10-26-23-27-12-9-20(29-23)22-21(16-3-1-4-18(32)15-16)30-24-31(22)13-14-35-24/h1,3-9,12-15,28,32H,2,10-11H2,(H,26,27,29)
InChIKeyWOKZLFHEBTUSPQ-UHFFFAOYSA-N
XLogP4.30
TPSA134.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.44
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 139308300
N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 162394863
4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 145437326
4-bromo-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 155927629
3-[5-[2-[2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol
CID 142741768
3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol
CID 138607219
5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol
CID 159024006
N-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethyl]-4-iodobenzenesulfonamide
CID 138607182
4-methyl-N-[3-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 138607155
3-[5-[2-[3-(4-fluorophenyl)sulfonylpropylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 148741083
4-fluoro-N-[2-[[4-[6-(4-fluoro-3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 156776075
4-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[3-(4-methoxyphenyl)sulfonylpropyl]pyrimidin-2-amine
CID 157126394

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide (CID 155927058) is 4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide is O=S(=O)(NCCCNc1nccc(-c2c(-c3cccc(O)c3)nc3occn23)n1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide?
The InChIKey is WOKZLFHEBTUSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN6O4S/c25-17-5-7-19(8-6-17)36(33,34)28-11-2-10-26-23-27-12-9-20(29-23)22-21(16-3-1-4-18(32)15-16)30-24-31(22)13-14-35-24/h1,3-9,12-15,28,32H,2,10-11H2,(H,26,27,29).
What are the key properties of 4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide?
4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide has a molecular weight of 569.44 g/mol, XLogP of 4.30, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide is sourced from PubChem (CID 155927058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).