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

C23H23NO4 — CID 11234269

IUPAC5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole
SMILESCOc1cc(C2(C)CC(c3cccc4ccccc34)=NO2)cc(OC)c1OC
InChIInChI=1S/C23H23NO4/c1-23(16-12-20(25-2)22(27-4)21(13-16)26-3)14-19(24-28-23)18-11-7-9-15-8-5-6-10-17(15)18/h5-13H,14H2,1-4H3
InChIKeyZIQMJQLCRHAYIE-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.91
Rot. Bonds5

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

5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole (PubChem CID 11234269) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole
PubChem CID11234269
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole
SMILESCOc1cc(C2(C)CC(c3cccc4ccccc34)=NO2)cc(OC)c1OC
InChIInChI=1S/C23H23NO4/c1-23(16-12-20(25-2)22(27-4)21(13-16)26-3)14-19(24-28-23)18-11-7-9-15-8-5-6-10-17(15)18/h5-13H,14H2,1-4H3
InChIKeyZIQMJQLCRHAYIE-UHFFFAOYSA-N
XLogP4.91
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole?
The IUPAC name of 5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole (CID 11234269) is 5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole?
The canonical SMILES for 5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole is COc1cc(C2(C)CC(c3cccc4ccccc34)=NO2)cc(OC)c1OC.
What is the InChIKey of 5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole?
The InChIKey is ZIQMJQLCRHAYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-23(16-12-20(25-2)22(27-4)21(13-16)26-3)14-19(24-28-23)18-11-7-9-15-8-5-6-10-17(15)18/h5-13H,14H2,1-4H3.
What are the key properties of 5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole?
5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole has a molecular weight of 377.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-4H-1,2-oxazole is sourced from PubChem (CID 11234269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).