2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline

C19H20N2O5 — CID 16721143

IUPAC2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline
SMILESCOc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H20N2O5/c1-22-15-6-5-11(7-14(15)20)13-10-21-26-18(13)12-8-16(23-2)19(25-4)17(9-12)24-3/h5-10H,20H2,1-4H3
InChIKeyPIXLSTRIFCYWHY-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.63
Rot. Bonds6

About 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline

2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline (PubChem CID 16721143) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline
PubChem CID16721143
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline
SMILESCOc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H20N2O5/c1-22-15-6-5-11(7-14(15)20)13-10-21-26-18(13)12-8-16(23-2)19(25-4)17(9-12)24-3/h5-10H,20H2,1-4H3
InChIKeyPIXLSTRIFCYWHY-UHFFFAOYSA-N
XLogP3.63
TPSA88.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline?
The IUPAC name of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline (CID 16721143) is 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline.
What is the SMILES notation for 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline?
The canonical SMILES for 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline is COc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline?
The InChIKey is PIXLSTRIFCYWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-22-15-6-5-11(7-14(15)20)13-10-21-26-18(13)12-8-16(23-2)19(25-4)17(9-12)24-3/h5-10H,20H2,1-4H3.
What are the key properties of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline?
2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline has a molecular weight of 356.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline is sourced from PubChem (CID 16721143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).