4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine

C15H20N2O4 — CID 973111

IUPAC4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine
SMILESCCOc1cc(-c2conc2N)cc(OCC)c1OCC
InChIInChI=1S/C15H20N2O4/c1-4-18-12-7-10(11-9-21-17-15(11)16)8-13(19-5-2)14(12)20-6-3/h7-9H,4-6H2,1-3H3,(H2,16,17)
InChIKeyJWGKNSFOFGONSD-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.12
Rot. Bonds7

About 4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine

4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 973111) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine
PubChem CID973111
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine
SMILESCCOc1cc(-c2conc2N)cc(OCC)c1OCC
InChIInChI=1S/C15H20N2O4/c1-4-18-12-7-10(11-9-21-17-15(11)16)8-13(19-5-2)14(12)20-6-3/h7-9H,4-6H2,1-3H3,(H2,16,17)
InChIKeyJWGKNSFOFGONSD-UHFFFAOYSA-N
XLogP3.12
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine (CID 973111) is 4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine is CCOc1cc(-c2conc2N)cc(OCC)c1OCC.
What is the InChIKey of 4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is JWGKNSFOFGONSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-18-12-7-10(11-9-21-17-15(11)16)8-13(19-5-2)14(12)20-6-3/h7-9H,4-6H2,1-3H3,(H2,16,17).
What are the key properties of 4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine?
4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 292.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 973111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).