2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol

C23H18ClFN2O2S — CID 44814812

IUPAC2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cc2)cn1
InChIInChI=1S/C23H18ClFN2O2S/c1-23(2,28)19-12-5-15(13-26-19)20-22(30-18-10-6-16(24)7-11-18)29-21(27-20)14-3-8-17(25)9-4-14/h3-13,28H,1-2H3
InChIKeyRPJAYKVIAYZWIM-UHFFFAOYSA-N
MW440.93 g/mol
LogP6.57
Rot. Bonds5

About 2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol

2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol (PubChem CID 44814812) has the molecular formula C23H18ClFN2O2S and a molecular weight of 440.93 g/mol. Its IUPAC name is 2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
PubChem CID44814812
Molecular FormulaC23H18ClFN2O2S
Molecular Weight440.93 g/mol
Exact Mass440.08
IUPAC Name2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cc2)cn1
InChIInChI=1S/C23H18ClFN2O2S/c1-23(2,28)19-12-5-15(13-26-19)20-22(30-18-10-6-16(24)7-11-18)29-21(27-20)14-3-8-17(25)9-4-14/h3-13,28H,1-2H3
InChIKeyRPJAYKVIAYZWIM-UHFFFAOYSA-N
XLogP6.57
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol with MolForge

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Related Compounds

4-[4-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)-oxazol-5-yl]-pyridine
CID 21704177
5-[(5-Chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 44815976
2-(5-(5-((5-Chloropyridin-2-yl)thio)-2-(4-fluorophenyl)oxazol-4-yl)pyridin-2-yl)propan-2-ol
CID 53341130
US10865384, Example 5a
CID 21704192
2-[5-[5-(4-Chlorophenyl)sulfanyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 53494724
US10865384, Example 5b
CID 118296097
4-(4-Fluorophenyl)-2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1,3-oxazole
CID 17852493
2-[5-[5-[(5-Chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]pyrazin-2-yl]propan-2-ol
CID 44814432
2-[5-[5-(4-Chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]pyrazin-2-yl]propan-2-ol
CID 44814433
2-[5-[5-(4-Chlorophenyl)sulfanyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazin-2-yl]propan-2-ol
CID 44814434
Methyl 5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylate
CID 44814435
2-(3-Fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-4-(5-methylpyrazin-2-yl)-1,3-oxazole
CID 44814436

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol (CID 44814812) is 2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is RPJAYKVIAYZWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O2S/c1-23(2,28)19-12-5-15(13-26-19)20-22(30-18-10-6-16(24)7-11-18)29-21(27-20)14-3-8-17(25)9-4-14/h3-13,28H,1-2H3.
What are the key properties of 2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 440.93 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 44814812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).