2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole

C23H18FNO2S — CID 7228322

IUPAC2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole
SMILESCOc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1F
InChIInChI=1S/C23H18FNO2S/c1-26-20-13-12-16(14-19(20)24)15-28-23-25-21(17-8-4-2-5-9-17)22(27-23)18-10-6-3-7-11-18/h2-14H,15H2,1H3
InChIKeyFKDHIYSLNLKKPP-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.45
Rot. Bonds6

About 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole

2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole (PubChem CID 7228322) has the molecular formula C23H18FNO2S and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole
PubChem CID7228322
Molecular FormulaC23H18FNO2S
Molecular Weight391.47 g/mol
Exact Mass391.10
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole
SMILESCOc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1F
InChIInChI=1S/C23H18FNO2S/c1-26-20-13-12-16(14-19(20)24)15-28-23-25-21(17-8-4-2-5-9-17)22(27-23)18-10-6-3-7-11-18/h2-14H,15H2,1H3
InChIKeyFKDHIYSLNLKKPP-UHFFFAOYSA-N
XLogP6.45
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole
CID 4108977
4,5-diphenyl-2-(pyridin-4-ylmethylsulfanyl)-1,3-oxazole
CID 27162221
2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline
CID 112781074
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
CID 7841206
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5198981
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 79134485
4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 43299370
4,5-diphenyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-oxazole
CID 134066741
N-[[3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66348431
2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701771
4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene
CID 78851396
2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole
CID 141107601

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole (CID 7228322) is 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole is COc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole?
The InChIKey is FKDHIYSLNLKKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2S/c1-26-20-13-12-16(14-19(20)24)15-28-23-25-21(17-8-4-2-5-9-17)22(27-23)18-10-6-3-7-11-18/h2-14H,15H2,1H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole?
2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole has a molecular weight of 391.47 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 7228322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).