5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline

C12H15N3O3 — CID 28643066

IUPAC5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCCOc1cc(N)c(-c2nnc(C)o2)cc1OC
InChIInChI=1S/C12H15N3O3/c1-4-17-11-6-9(13)8(5-10(11)16-3)12-15-14-7(2)18-12/h5-6H,4,13H2,1-3H3
InChIKeyOODVVBLUWHTIEI-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.03
Rot. Bonds4

About 5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline

5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 28643066) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID28643066
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCCOc1cc(N)c(-c2nnc(C)o2)cc1OC
InChIInChI=1S/C12H15N3O3/c1-4-17-11-6-9(13)8(5-10(11)16-3)12-15-14-7(2)18-12/h5-6H,4,13H2,1-3H3
InChIKeyOODVVBLUWHTIEI-UHFFFAOYSA-N
XLogP2.03
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.03
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-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (CID 28643066) is 5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is CCOc1cc(N)c(-c2nnc(C)o2)cc1OC.
What is the InChIKey of 5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is OODVVBLUWHTIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-4-17-11-6-9(13)8(5-10(11)16-3)12-15-14-7(2)18-12/h5-6H,4,13H2,1-3H3.
What are the key properties of 5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 249.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 28643066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).