4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole

C22H24FNO2 — CID 58178174

IUPAC4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole
SMILESCCc1cc(-c2nocc2-c2ccc(OC)c(F)c2)cc(CC)c1CC
InChIInChI=1S/C22H24FNO2/c1-5-14-10-17(11-15(6-2)18(14)7-3)22-19(13-26-24-22)16-8-9-21(25-4)20(23)12-16/h8-13H,5-7H2,1-4H3
InChIKeyONRIVCUAYREUCR-UHFFFAOYSA-N
MW353.44 g/mol
LogP5.84
Rot. Bonds6

About 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole

4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole (PubChem CID 58178174) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole
PubChem CID58178174
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole
SMILESCCc1cc(-c2nocc2-c2ccc(OC)c(F)c2)cc(CC)c1CC
InChIInChI=1S/C22H24FNO2/c1-5-14-10-17(11-15(6-2)18(14)7-3)22-19(13-26-24-22)16-8-9-21(25-4)20(23)12-16/h8-13H,5-7H2,1-4H3
InChIKeyONRIVCUAYREUCR-UHFFFAOYSA-N
XLogP5.84
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.44
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58177948
N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole
CID 66929478
1-ethyl-3-(3-fluoro-4-methoxyphenyl)-2-methylsulfonylbenzene
CID 174335580
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate
CID 173032615
N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide
CID 58712162
4-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 135391735
4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58178267
4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58712207
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid
CID 82304034
2-ethyl-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-amine
CID 65096550
2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
CID 131867399

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole (CID 58178174) is 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole is CCc1cc(-c2nocc2-c2ccc(OC)c(F)c2)cc(CC)c1CC.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole?
The InChIKey is ONRIVCUAYREUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c1-5-14-10-17(11-15(6-2)18(14)7-3)22-19(13-26-24-22)16-8-9-21(25-4)20(23)12-16/h8-13H,5-7H2,1-4H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole?
4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole has a molecular weight of 353.44 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole is sourced from PubChem (CID 58178174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).