1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate

C12H12N2O4 — CID 61323491

IUPAC1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate
SMILESNc1ccccc1OCC(=O)OCc1cnoc1
InChIInChI=1S/C12H12N2O4/c13-10-3-1-2-4-11(10)16-8-12(15)17-6-9-5-14-18-7-9/h1-5,7H,6,8,13H2
InChIKeyIHEBKQRFVHGSBQ-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.38
Rot. Bonds5

About 1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate

1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate (PubChem CID 61323491) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate.

Molecular Properties

Compound Name1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate
PubChem CID61323491
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate
SMILESNc1ccccc1OCC(=O)OCc1cnoc1
InChIInChI=1S/C12H12N2O4/c13-10-3-1-2-4-11(10)16-8-12(15)17-6-9-5-14-18-7-9/h1-5,7H,6,8,13H2
InChIKeyIHEBKQRFVHGSBQ-UHFFFAOYSA-N
XLogP1.38
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.38
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 1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate?
The IUPAC name of 1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate (CID 61323491) is 1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate.
What is the SMILES notation for 1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate?
The canonical SMILES for 1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate is Nc1ccccc1OCC(=O)OCc1cnoc1.
What is the InChIKey of 1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate?
The InChIKey is IHEBKQRFVHGSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c13-10-3-1-2-4-11(10)16-8-12(15)17-6-9-5-14-18-7-9/h1-5,7H,6,8,13H2.
What are the key properties of 1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate?
1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate has a molecular weight of 248.24 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate is sourced from PubChem (CID 61323491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).