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

C19H19NO5 — CID 58178281

IUPAC4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2conc2-c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C19H19NO5/c1-21-13-7-5-12(6-8-13)15-11-25-20-19(15)14-9-17(23-3)18(24-4)10-16(14)22-2/h5-11H,1-4H3
InChIKeyFJGQVTRABREKFW-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.04
Rot. Bonds6

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

4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 58178281) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID58178281
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2conc2-c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C19H19NO5/c1-21-13-7-5-12(6-8-13)15-11-25-20-19(15)14-9-17(23-3)18(24-4)10-16(14)22-2/h5-11H,1-4H3
InChIKeyFJGQVTRABREKFW-UHFFFAOYSA-N
XLogP4.04
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole (CID 58178281) is 4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole is COc1ccc(-c2conc2-c2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is FJGQVTRABREKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-21-13-7-5-12(6-8-13)15-11-25-20-19(15)14-9-17(23-3)18(24-4)10-16(14)22-2/h5-11H,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole?
4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 341.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 58178281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).