5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole

C20H20FNO3 — CID 68901016

IUPAC5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole
SMILESCOc1cc(OC)c(C(C)C)cc1-c1ocnc1-c1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c1-12(2)15-9-16(18(24-4)10-17(15)23-3)20-19(22-11-25-20)13-5-7-14(21)8-6-13/h5-12H,1-4H3
InChIKeyFDPJXECGDOHTRJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP5.29
Rot. Bonds5

About 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole

5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole (PubChem CID 68901016) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole
PubChem CID68901016
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole
SMILESCOc1cc(OC)c(C(C)C)cc1-c1ocnc1-c1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c1-12(2)15-9-16(18(24-4)10-17(15)23-3)20-19(22-11-25-20)13-5-7-14(21)8-6-13/h5-12H,1-4H3
InChIKeyFDPJXECGDOHTRJ-UHFFFAOYSA-N
XLogP5.29
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-Dimethoxyphenyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 164609034
5-(2,4-Dimethoxyphenyl)oxazole
CID 91280986
2-(2,4-Dimethoxyphenyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 164622321
1,1,1,3,3,3-Hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol
CID 11719878
7-(2-{2-[3-Fluoro-5-(trifluoromethyl)phenyl] (1,3-oxazol-5-yl)}ethoxy)-3-(4-hydroxyphenyl)chromen-4-one
CID 24960623
4-[5-(4-Fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
CID 42623601
5-(3-Fluoro-4-methoxyphenyl)-2-methyl-4-phenyl-1,3-oxazole
CID 53933969
5-(2,4,5-Trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56943132
5-(3-Fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
CID 56943507
4-(3,5-Dimethoxyphenyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 56943535
5-(3,4-Dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 56943567
5-(3,5-Dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 56943569

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole (CID 68901016) is 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole is COc1cc(OC)c(C(C)C)cc1-c1ocnc1-c1ccc(F)cc1.
What is the InChIKey of 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is FDPJXECGDOHTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-12(2)15-9-16(18(24-4)10-17(15)23-3)20-19(22-11-25-20)13-5-7-14(21)8-6-13/h5-12H,1-4H3.
What are the key properties of 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole?
5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 341.38 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 68901016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).