5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole

C18H16FNO4 — CID 56943569

IUPAC5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1cc(OC)cc(-c2ocnc2-c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H16FNO4/c1-21-13-6-12(7-14(9-13)22-2)18-17(20-10-24-18)11-4-5-16(23-3)15(19)8-11/h4-10H,1-3H3
InChIKeyUCQQHMAICACGSW-UHFFFAOYSA-N
MW329.33 g/mol
LogP4.17
Rot. Bonds5

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

5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole (PubChem CID 56943569) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
PubChem CID56943569
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1cc(OC)cc(-c2ocnc2-c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H16FNO4/c1-21-13-6-12(7-14(9-13)22-2)18-17(20-10-24-18)11-4-5-16(23-3)15(19)8-11/h4-10H,1-3H3
InChIKeyUCQQHMAICACGSW-UHFFFAOYSA-N
XLogP4.17
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole (CID 56943569) is 5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole is COc1cc(OC)cc(-c2ocnc2-c2ccc(OC)c(F)c2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The InChIKey is UCQQHMAICACGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-21-13-6-12(7-14(9-13)22-2)18-17(20-10-24-18)11-4-5-16(23-3)15(19)8-11/h4-10H,1-3H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole has a molecular weight of 329.33 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56943569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).