2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide

C12H13N3O2 — CID 155479224

IUPAC2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1ncco1
InChIInChI=1S/C12H13N3O2/c13-10(8-9-4-2-1-3-5-9)11(16)15-12-14-6-7-17-12/h1-7,10H,8,13H2,(H,14,15,16)
InChIKeyFDQWSCGLKPHFGY-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.18
Rot. Bonds4

About 2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide

2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide (PubChem CID 155479224) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide
PubChem CID155479224
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1ncco1
InChIInChI=1S/C12H13N3O2/c13-10(8-9-4-2-1-3-5-9)11(16)15-12-14-6-7-17-12/h1-7,10H,8,13H2,(H,14,15,16)
InChIKeyFDQWSCGLKPHFGY-UHFFFAOYSA-N
XLogP1.18
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide (CID 155479224) is 2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)Nc1ncco1.
What is the InChIKey of 2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide?
The InChIKey is FDQWSCGLKPHFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-10(8-9-4-2-1-3-5-9)11(16)15-12-14-6-7-17-12/h1-7,10H,8,13H2,(H,14,15,16).
What are the key properties of 2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide?
2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide has a molecular weight of 231.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 155479224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).