3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline

C12H15N3O2 — CID 55151915

IUPAC3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
SMILESCOCCc1noc(-c2cccc(N)c2C)n1
InChIInChI=1S/C12H15N3O2/c1-8-9(4-3-5-10(8)13)12-14-11(15-17-12)6-7-16-2/h3-5H,6-7,13H2,1-2H3
InChIKeyPYYWPPFLOYOMKY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.82
Rot. Bonds4

About 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline

3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline (PubChem CID 55151915) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
PubChem CID55151915
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
SMILESCOCCc1noc(-c2cccc(N)c2C)n1
InChIInChI=1S/C12H15N3O2/c1-8-9(4-3-5-10(8)13)12-14-11(15-17-12)6-7-16-2/h3-5H,6-7,13H2,1-2H3
InChIKeyPYYWPPFLOYOMKY-UHFFFAOYSA-N
XLogP1.82
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The IUPAC name of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline (CID 55151915) is 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline.
What is the SMILES notation for 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The canonical SMILES for 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline is COCCc1noc(-c2cccc(N)c2C)n1.
What is the InChIKey of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The InChIKey is PYYWPPFLOYOMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-9(4-3-5-10(8)13)12-14-11(15-17-12)6-7-16-2/h3-5H,6-7,13H2,1-2H3.
What are the key properties of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline has a molecular weight of 233.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline is sourced from PubChem (CID 55151915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).