5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine

C13H16N2O3 — CID 117373528

IUPAC5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
SMILESCCOc1cc(-c2cc(N)no2)c(OC)cc1C
InChIInChI=1S/C13H16N2O3/c1-4-17-10-6-9(11(16-3)5-8(10)2)12-7-13(14)15-18-12/h5-7H,4H2,1-3H3,(H2,14,15)
InChIKeyIGXUEOANQQPNGB-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.64
Rot. Bonds4

About 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine

5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 117373528) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID117373528
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
SMILESCCOc1cc(-c2cc(N)no2)c(OC)cc1C
InChIInChI=1S/C13H16N2O3/c1-4-17-10-6-9(11(16-3)5-8(10)2)12-7-13(14)15-18-12/h5-7H,4H2,1-3H3,(H2,14,15)
InChIKeyIGXUEOANQQPNGB-UHFFFAOYSA-N
XLogP2.64
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117443904
5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 82481596
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117446006
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117373049
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117473181
5-(2-methoxy-5-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117405267
5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
CID 117461607
5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 117465476
5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazol-2-amine
CID 82290583

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine (CID 117373528) is 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine is CCOc1cc(-c2cc(N)no2)c(OC)cc1C.
What is the InChIKey of 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is IGXUEOANQQPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-17-10-6-9(11(16-3)5-8(10)2)12-7-13(14)15-18-12/h5-7H,4H2,1-3H3,(H2,14,15).
What are the key properties of 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine?
5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 248.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117373528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).