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

C18H16FNO4 — CID 56943567

IUPAC5-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2ccc(OC)c(OC)c2)cc1F
InChIInChI=1S/C18H16FNO4/c1-21-14-6-4-11(8-13(14)19)17-18(24-10-20-17)12-5-7-15(22-2)16(9-12)23-3/h4-10H,1-3H3
InChIKeyHHIBXRKNMMXETQ-UHFFFAOYSA-N
MW329.33 g/mol
LogP4.17
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole (PubChem CID 56943567) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
PubChem CID56943567
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name5-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2ccc(OC)c(OC)c2)cc1F
InChIInChI=1S/C18H16FNO4/c1-21-14-6-4-11(8-13(14)19)17-18(24-10-20-17)12-5-7-15(22-2)16(9-12)23-3/h4-10H,1-3H3
InChIKeyHHIBXRKNMMXETQ-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-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole (CID 56943567) is 5-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2ncoc2-c2ccc(OC)c(OC)c2)cc1F.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The InChIKey is HHIBXRKNMMXETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-21-14-6-4-11(8-13(14)19)17-18(24-10-20-17)12-5-7-15(22-2)16(9-12)23-3/h4-10H,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
5-(3,4-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-(3,4-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56943567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).