4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline

C10H13N3O2 — CID 142742086

IUPAC4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline
SMILESCOc1cc(C2=NCCON2)ccc1N
InChIInChI=1S/C10H13N3O2/c1-14-9-6-7(2-3-8(9)11)10-12-4-5-15-13-10/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKeyRZCFVDKSKQUVEK-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.56
Rot. Bonds2

About 4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline

4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline (PubChem CID 142742086) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline
PubChem CID142742086
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline
SMILESCOc1cc(C2=NCCON2)ccc1N
InChIInChI=1S/C10H13N3O2/c1-14-9-6-7(2-3-8(9)11)10-12-4-5-15-13-10/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKeyRZCFVDKSKQUVEK-UHFFFAOYSA-N
XLogP0.56
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
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 4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline?
The IUPAC name of 4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline (CID 142742086) is 4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline.
What is the SMILES notation for 4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline?
The canonical SMILES for 4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline is COc1cc(C2=NCCON2)ccc1N.
What is the InChIKey of 4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline?
The InChIKey is RZCFVDKSKQUVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-14-9-6-7(2-3-8(9)11)10-12-4-5-15-13-10/h2-3,6H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline?
4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline has a molecular weight of 207.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline is sourced from PubChem (CID 142742086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).