2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine

C11H14N2O3 — CID 79998169

IUPAC2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine
SMILESCOCCOCc1nc2c(N)cccc2o1
InChIInChI=1S/C11H14N2O3/c1-14-5-6-15-7-10-13-11-8(12)3-2-4-9(11)16-10/h2-4H,5-7,12H2,1H3
InChIKeyGLKLMNSWNFOBCI-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.57
Rot. Bonds5

About 2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine

2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine (PubChem CID 79998169) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine
PubChem CID79998169
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine
SMILESCOCCOCc1nc2c(N)cccc2o1
InChIInChI=1S/C11H14N2O3/c1-14-5-6-15-7-10-13-11-8(12)3-2-4-9(11)16-10/h2-4H,5-7,12H2,1H3
InChIKeyGLKLMNSWNFOBCI-UHFFFAOYSA-N
XLogP1.57
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine?
The IUPAC name of 2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine (CID 79998169) is 2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine is COCCOCc1nc2c(N)cccc2o1.
What is the InChIKey of 2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine?
The InChIKey is GLKLMNSWNFOBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-14-5-6-15-7-10-13-11-8(12)3-2-4-9(11)16-10/h2-4H,5-7,12H2,1H3.
What are the key properties of 2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine?
2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine has a molecular weight of 222.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79998169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).