4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole

C21H20N2O4 — CID 24761250

IUPAC4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2noc(C)c2-c2ccc3[nH]ccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H20N2O4/c1-12-19(14-5-6-16-13(9-14)7-8-22-16)20(23-27-12)15-10-17(24-2)21(26-4)18(11-15)25-3/h5-11,22H,1-4H3
InChIKeyOGOKTEXJFLTDMK-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.82
Rot. Bonds5

About 4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole

4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 24761250) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID24761250
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2noc(C)c2-c2ccc3[nH]ccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H20N2O4/c1-12-19(14-5-6-16-13(9-14)7-8-22-16)20(23-27-12)15-10-17(24-2)21(26-4)18(11-15)25-3/h5-11,22H,1-4H3
InChIKeyOGOKTEXJFLTDMK-UHFFFAOYSA-N
XLogP4.82
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 24761250) is 4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole is COc1cc(-c2noc(C)c2-c2ccc3[nH]ccc3c2)cc(OC)c1OC.
What is the InChIKey of 4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is OGOKTEXJFLTDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-12-19(14-5-6-16-13(9-14)7-8-22-16)20(23-27-12)15-10-17(24-2)21(26-4)18(11-15)25-3/h5-11,22H,1-4H3.
What are the key properties of 4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 364.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 24761250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).