4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole

C20H14FNO3 — CID 24761329

IUPAC4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole
SMILESCOc1cc(-c2c(-c3ccco3)noc2-c2ccccc2)ccc1F
InChIInChI=1S/C20H14FNO3/c1-23-17-12-14(9-10-15(17)21)18-19(16-8-5-11-24-16)22-25-20(18)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeySRSGYMQXUMWASI-UHFFFAOYSA-N
MW335.33 g/mol
LogP5.42
Rot. Bonds4

About 4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole

4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole (PubChem CID 24761329) has the molecular formula C20H14FNO3 and a molecular weight of 335.33 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole
PubChem CID24761329
Molecular FormulaC20H14FNO3
Molecular Weight335.33 g/mol
Exact Mass335.10
IUPAC Name4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole
SMILESCOc1cc(-c2c(-c3ccco3)noc2-c2ccccc2)ccc1F
InChIInChI=1S/C20H14FNO3/c1-23-17-12-14(9-10-15(17)21)18-19(16-8-5-11-24-16)22-25-20(18)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeySRSGYMQXUMWASI-UHFFFAOYSA-N
XLogP5.42
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.33
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole?
The IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole (CID 24761329) is 4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole.
What is the SMILES notation for 4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole?
The canonical SMILES for 4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole is COc1cc(-c2c(-c3ccco3)noc2-c2ccccc2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole?
The InChIKey is SRSGYMQXUMWASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3/c1-23-17-12-14(9-10-15(17)21)18-19(16-8-5-11-24-16)22-25-20(18)13-6-3-2-4-7-13/h2-12H,1H3.
What are the key properties of 4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole?
4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole has a molecular weight of 335.33 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole is sourced from PubChem (CID 24761329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).