3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol

C18H16FNO5 — CID 90115164

IUPAC3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol
SMILESCOc1cc(OC)cc(-c2ncoc2-c2ccc(OC)c(O)c2F)c1
InChIInChI=1S/C18H16FNO5/c1-22-11-6-10(7-12(8-11)23-2)16-18(25-9-20-16)13-4-5-14(24-3)17(21)15(13)19/h4-9,21H,1-3H3
InChIKeyCMVHSDLRUNEUKF-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.88
Rot. Bonds5

About 3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol

3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol (PubChem CID 90115164) has the molecular formula C18H16FNO5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol
PubChem CID90115164
Molecular FormulaC18H16FNO5
Molecular Weight345.33 g/mol
Exact Mass345.10
IUPAC Name3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol
SMILESCOc1cc(OC)cc(-c2ncoc2-c2ccc(OC)c(O)c2F)c1
InChIInChI=1S/C18H16FNO5/c1-22-11-6-10(7-12(8-11)23-2)16-18(25-9-20-16)13-4-5-14(24-3)17(21)15(13)19/h4-9,21H,1-3H3
InChIKeyCMVHSDLRUNEUKF-UHFFFAOYSA-N
XLogP3.88
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol?
The IUPAC name of 3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol (CID 90115164) is 3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol.
What is the SMILES notation for 3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol?
The canonical SMILES for 3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol is COc1cc(OC)cc(-c2ncoc2-c2ccc(OC)c(O)c2F)c1.
What is the InChIKey of 3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol?
The InChIKey is CMVHSDLRUNEUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO5/c1-22-11-6-10(7-12(8-11)23-2)16-18(25-9-20-16)13-4-5-14(24-3)17(21)15(13)19/h4-9,21H,1-3H3.
What are the key properties of 3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol?
3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol has a molecular weight of 345.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol is sourced from PubChem (CID 90115164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).