2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide

C18H17N3O2 — CID 3674009

IUPAC2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2coc(-c3ccccc3N)n2)cc1
InChIInChI=1S/C18H17N3O2/c1-2-12-7-9-13(10-8-12)20-17(22)16-11-23-18(21-16)14-5-3-4-6-15(14)19/h3-11H,2,19H2,1H3,(H,20,22)
InChIKeyYBPQFPQQVXBOLM-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.74
Rot. Bonds4

About 2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide

2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3674009) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3674009
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2coc(-c3ccccc3N)n2)cc1
InChIInChI=1S/C18H17N3O2/c1-2-12-7-9-13(10-8-12)20-17(22)16-11-23-18(21-16)14-5-3-4-6-15(14)19/h3-11H,2,19H2,1H3,(H,20,22)
InChIKeyYBPQFPQQVXBOLM-UHFFFAOYSA-N
XLogP3.74
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide 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-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide
CID 3859588
2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3721367
2-(2-aminophenyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3295381
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552922
2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide
CID 3431845
2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3426251
2-(2-aminophenyl)-N-octan-2-yl-1,3-oxazole-4-carboxamide
CID 3674790
2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5006646
2-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3597833
2-amino-N-(4-ethylphenyl)-6-methylbenzamide
CID 16788782
2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide (CID 3674009) is 2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide is CCc1ccc(NC(=O)c2coc(-c3ccccc3N)n2)cc1.
What is the InChIKey of 2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YBPQFPQQVXBOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-12-7-9-13(10-8-12)20-17(22)16-11-23-18(21-16)14-5-3-4-6-15(14)19/h3-11H,2,19H2,1H3,(H,20,22).
What are the key properties of 2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide?
2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3674009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).