4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole

C20H20FNO5 — CID 24761251

IUPAC4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2C)ccc1F
InChIInChI=1S/C20H20FNO5/c1-11-18(12-6-7-14(21)15(8-12)23-2)19(22-27-11)13-9-16(24-3)20(26-5)17(10-13)25-4/h6-10H,1-5H3
InChIKeyDOZLGCDBIUCXPZ-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.49
Rot. Bonds6

About 4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole

4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 24761251) has the molecular formula C20H20FNO5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID24761251
Molecular FormulaC20H20FNO5
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Name4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2C)ccc1F
InChIInChI=1S/C20H20FNO5/c1-11-18(12-6-7-14(21)15(8-12)23-2)19(22-27-11)13-9-16(24-3)20(26-5)17(10-13)25-4/h6-10H,1-5H3
InChIKeyDOZLGCDBIUCXPZ-UHFFFAOYSA-N
XLogP4.49
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 24761251) is 4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole is COc1cc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2C)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is DOZLGCDBIUCXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5/c1-11-18(12-6-7-14(21)15(8-12)23-2)19(22-27-11)13-9-16(24-3)20(26-5)17(10-13)25-4/h6-10H,1-5H3.
What are the key properties of 4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 373.38 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxyphenyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 24761251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).