5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline

C19H20N2O4 — CID 58178381

IUPAC5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline
SMILESCOc1ccc(-c2conc2-c2cc(C)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H20N2O4/c1-11-7-13(9-17(23-3)19(11)24-4)18-14(10-25-21-18)12-5-6-16(22-2)15(20)8-12/h5-10H,20H2,1-4H3
InChIKeyICWCFRJTDUNOHE-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.93
Rot. Bonds5

About 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline

5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline (PubChem CID 58178381) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline
PubChem CID58178381
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline
SMILESCOc1ccc(-c2conc2-c2cc(C)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H20N2O4/c1-11-7-13(9-17(23-3)19(11)24-4)18-14(10-25-21-18)12-5-6-16(22-2)15(20)8-12/h5-10H,20H2,1-4H3
InChIKeyICWCFRJTDUNOHE-UHFFFAOYSA-N
XLogP3.93
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline?
The IUPAC name of 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline (CID 58178381) is 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline.
What is the SMILES notation for 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline?
The canonical SMILES for 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline is COc1ccc(-c2conc2-c2cc(C)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline?
The InChIKey is ICWCFRJTDUNOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-11-7-13(9-17(23-3)19(11)24-4)18-14(10-25-21-18)12-5-6-16(22-2)15(20)8-12/h5-10H,20H2,1-4H3.
What are the key properties of 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline?
5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline has a molecular weight of 340.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyaniline is sourced from PubChem (CID 58178381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).