2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide

C12H13N3O2 — CID 106591393

IUPAC2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide
SMILESCC(C(=O)Nc1ccon1)c1cccc(N)c1
InChIInChI=1S/C12H13N3O2/c1-8(9-3-2-4-10(13)7-9)12(16)14-11-5-6-17-15-11/h2-8H,13H2,1H3,(H,14,15,16)
InChIKeyZEYHOAPEIOQXIJ-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.00
Rot. Bonds3

About 2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide

2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide (PubChem CID 106591393) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide
PubChem CID106591393
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide
SMILESCC(C(=O)Nc1ccon1)c1cccc(N)c1
InChIInChI=1S/C12H13N3O2/c1-8(9-3-2-4-10(13)7-9)12(16)14-11-5-6-17-15-11/h2-8H,13H2,1H3,(H,14,15,16)
InChIKeyZEYHOAPEIOQXIJ-UHFFFAOYSA-N
XLogP2.00
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 106590814
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
CID 106590704
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 106590705
2-(3-aminophenyl)-N-(2-chloro-6-methylphenyl)propanamide
CID 106591588
2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 106590698
2-[2-(3-aminophenyl)propanoylamino]benzamide
CID 106590933
2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
CID 106590702
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide
CID 104502578
2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide
CID 106590860
2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106391286

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide (CID 106591393) is 2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide is CC(C(=O)Nc1ccon1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide?
The InChIKey is ZEYHOAPEIOQXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(9-3-2-4-10(13)7-9)12(16)14-11-5-6-17-15-11/h2-8H,13H2,1H3,(H,14,15,16).
What are the key properties of 2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide?
2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide has a molecular weight of 231.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 106591393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).