4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide

C24H19ClFN3O3S — CID 54575466

IUPAC4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H19ClFN3O3S/c1-29(2)23(30)16-5-10-19(11-6-16)31-14-20-24(33-21-12-7-17(25)13-27-21)32-22(28-20)15-3-8-18(26)9-4-15/h3-13H,14H2,1-2H3
InChIKeyALUKYDYXICIGST-UHFFFAOYSA-N
MW483.95 g/mol
LogP5.96
Rot. Bonds7

About 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide

4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide (PubChem CID 54575466) has the molecular formula C24H19ClFN3O3S and a molecular weight of 483.95 g/mol. Its IUPAC name is 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide
PubChem CID54575466
Molecular FormulaC24H19ClFN3O3S
Molecular Weight483.95 g/mol
Exact Mass483.08
IUPAC Name4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H19ClFN3O3S/c1-29(2)23(30)16-5-10-19(11-6-16)31-14-20-24(33-21-12-7-17(25)13-27-21)32-22(28-20)15-3-8-18(26)9-4-15/h3-13H,14H2,1-2H3
InChIKeyALUKYDYXICIGST-UHFFFAOYSA-N
XLogP5.96
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.95
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide with MolForge

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Related Compounds

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
2-[5-[5-(4-Chlorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 44814812
2-[5-[5-(4-Chloro-2-fluorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 44814814
2-[5-[5-(4-Chloro-3-fluorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 44815149
2-[5-[5-(4-Chlorophenyl)sulfanyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 44815150
2-[5-[5-[(5-Chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 44815152
2-[5-[5-[(5-Chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 44815314
2-[5-[5-(4-Chlorophenyl)sulfanyl-2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 44815316
2-[5-[5-[(5-Chloro-2-pyridinyl)sulfanyl]-2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 44815317
2-[5-[5-[(5-Chloro-2-pyridinyl)sulfanyl]-2-(4-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 44815319
2-[5-[2-(4-Chlorophenyl)-5-[(5-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 44815477

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide (CID 54575466) is 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(OCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1.
What is the InChIKey of 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide?
The InChIKey is ALUKYDYXICIGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O3S/c1-29(2)23(30)16-5-10-19(11-6-16)31-14-20-24(33-21-12-7-17(25)13-27-21)32-22(28-20)15-3-8-18(26)9-4-15/h3-13H,14H2,1-2H3.
What are the key properties of 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide?
4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide has a molecular weight of 483.95 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 54575466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).