2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide

C12H13N3O3 — CID 81171047

IUPAC2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESNc1ccc(OCC(=O)NCc2ccon2)cc1
InChIInChI=1S/C12H13N3O3/c13-9-1-3-11(4-2-9)17-8-12(16)14-7-10-5-6-18-15-10/h1-6H,7-8,13H2,(H,14,16)
InChIKeyFOSNFEUBTXPRQE-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.95
Rot. Bonds5

About 2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide

2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 81171047) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID81171047
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESNc1ccc(OCC(=O)NCc2ccon2)cc1
InChIInChI=1S/C12H13N3O3/c13-9-1-3-11(4-2-9)17-8-12(16)14-7-10-5-6-18-15-10/h1-6H,7-8,13H2,(H,14,16)
InChIKeyFOSNFEUBTXPRQE-UHFFFAOYSA-N
XLogP0.95
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 81171047) is 2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide is Nc1ccc(OCC(=O)NCc2ccon2)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is FOSNFEUBTXPRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c13-9-1-3-11(4-2-9)17-8-12(16)14-7-10-5-6-18-15-10/h1-6H,7-8,13H2,(H,14,16).
What are the key properties of 2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide?
2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 247.25 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 81171047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).