3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide

C13H15N3O2 — CID 104502578

IUPAC3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide
SMILESCC(CC(=O)Nc1ccon1)c1ccc(N)cc1
InChIInChI=1S/C13H15N3O2/c1-9(10-2-4-11(14)5-3-10)8-13(17)15-12-6-7-18-16-12/h2-7,9H,8,14H2,1H3,(H,15,16,17)
InChIKeyDWZXTVYWPGBOJK-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.39
Rot. Bonds4

About 3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide

3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide (PubChem CID 104502578) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide
PubChem CID104502578
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide
SMILESCC(CC(=O)Nc1ccon1)c1ccc(N)cc1
InChIInChI=1S/C13H15N3O2/c1-9(10-2-4-11(14)5-3-10)8-13(17)15-12-6-7-18-16-12/h2-7,9H,8,14H2,1H3,(H,15,16,17)
InChIKeyDWZXTVYWPGBOJK-UHFFFAOYSA-N
XLogP2.39
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate
CID 16592228
3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 104501972
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide
CID 104502905
3-(4-aminophenyl)-N-(2-cyanophenyl)butanamide
CID 104502015
N-(1,2-oxazol-3-yl)-3-oxobutanamide
CID 62902230
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
CID 104502050
3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide
CID 104778329
3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
CID 102805605
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 16594218
2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide
CID 106591393

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide (CID 104502578) is 3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide is CC(CC(=O)Nc1ccon1)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide?
The InChIKey is DWZXTVYWPGBOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(10-2-4-11(14)5-3-10)8-13(17)15-12-6-7-18-16-12/h2-7,9H,8,14H2,1H3,(H,15,16,17).
What are the key properties of 3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide?
3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide has a molecular weight of 245.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 104502578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).