5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol

C24H20FN5O4S — CID 159024006

IUPAC5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol
SMILESO=S(=O)(CCCNc1nccc(-c2c(-c3ccc(F)c(O)c3)nc3occn23)n1)c1ccccc1
InChIInChI=1S/C24H20FN5O4S/c25-18-8-7-16(15-20(18)31)21-22(30-12-13-34-24(30)29-21)19-9-11-27-23(28-19)26-10-4-14-35(32,33)17-5-2-1-3-6-17/h1-3,5-9,11-13,15,31H,4,10,14H2,(H,26,27,28)
InChIKeyJUBHWJXYIDVAGW-UHFFFAOYSA-N
MW493.52 g/mol
LogP4.17
Rot. Bonds8

About 5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol

5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol (PubChem CID 159024006) has the molecular formula C24H20FN5O4S and a molecular weight of 493.52 g/mol. Its IUPAC name is 5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol
PubChem CID159024006
Molecular FormulaC24H20FN5O4S
Molecular Weight493.52 g/mol
Exact Mass493.12
IUPAC Name5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol
SMILESO=S(=O)(CCCNc1nccc(-c2c(-c3ccc(F)c(O)c3)nc3occn23)n1)c1ccccc1
InChIInChI=1S/C24H20FN5O4S/c25-18-8-7-16(15-20(18)31)21-22(30-12-13-34-24(30)29-21)19-9-11-27-23(28-19)26-10-4-14-35(32,33)17-5-2-1-3-6-17/h1-3,5-9,11-13,15,31H,4,10,14H2,(H,26,27,28)
InChIKeyJUBHWJXYIDVAGW-UHFFFAOYSA-N
XLogP4.17
TPSA122.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[3-(4-methoxyphenyl)sulfonylpropyl]pyrimidin-2-amine
CID 157126394
5-[5-[2-[2-(5-ethyl-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol
CID 156569938
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-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 155927058
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-phenylimidazo[2,1-b][1,3]oxazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 145437326
6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol
CID 58541626
N-[3-(benzenesulfonyl)propyl]-4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 158265657
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
N-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethyl]-4-iodobenzenesulfonamide
CID 138607182
2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol
CID 58541744

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol?
The IUPAC name of 5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol (CID 159024006) is 5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol.
What is the SMILES notation for 5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol?
The canonical SMILES for 5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol is O=S(=O)(CCCNc1nccc(-c2c(-c3ccc(F)c(O)c3)nc3occn23)n1)c1ccccc1.
What is the InChIKey of 5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol?
The InChIKey is JUBHWJXYIDVAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O4S/c25-18-8-7-16(15-20(18)31)21-22(30-12-13-34-24(30)29-21)19-9-11-27-23(28-19)26-10-4-14-35(32,33)17-5-2-1-3-6-17/h1-3,5-9,11-13,15,31H,4,10,14H2,(H,26,27,28).
What are the key properties of 5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol?
5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol has a molecular weight of 493.52 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol is sourced from PubChem (CID 159024006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).