5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole

C22H18FNO2 — CID 71445316

IUPAC5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=NOC(c3ccc(F)c(Oc4ccccc4)c3)C2)cc1
InChIInChI=1S/C22H18FNO2/c1-15-7-9-16(10-8-15)20-14-21(26-24-20)17-11-12-19(23)22(13-17)25-18-5-3-2-4-6-18/h2-13,21H,14H2,1H3
InChIKeyBHYPSOZUQPNSOP-UHFFFAOYSA-N
MW347.39 g/mol
LogP5.79
Rot. Bonds4

About 5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole

5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 71445316) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID71445316
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Name5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=NOC(c3ccc(F)c(Oc4ccccc4)c3)C2)cc1
InChIInChI=1S/C22H18FNO2/c1-15-7-9-16(10-8-15)20-14-21(26-24-20)17-11-12-19(23)22(13-17)25-18-5-3-2-4-6-18/h2-13,21H,14H2,1H3
InChIKeyBHYPSOZUQPNSOP-UHFFFAOYSA-N
XLogP5.79
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole (CID 71445316) is 5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole is Cc1ccc(C2=NOC(c3ccc(F)c(Oc4ccccc4)c3)C2)cc1.
What is the InChIKey of 5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is BHYPSOZUQPNSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO2/c1-15-7-9-16(10-8-15)20-14-21(26-24-20)17-11-12-19(23)22(13-17)25-18-5-3-2-4-6-18/h2-13,21H,14H2,1H3.
What are the key properties of 5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 347.39 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71445316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).