5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid

C10H8N2O3 — CID 45267906

IUPAC5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid
SMILESNc1ccc(-c2cc(C(=O)O)no2)cc1
InChIInChI=1S/C10H8N2O3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,11H2,(H,13,14)
InChIKeyNLLYBPACIUYZPH-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.62
Rot. Bonds2

About 5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid

5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 45267906) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID45267906
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid
SMILESNc1ccc(-c2cc(C(=O)O)no2)cc1
InChIInChI=1S/C10H8N2O3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,11H2,(H,13,14)
InChIKeyNLLYBPACIUYZPH-UHFFFAOYSA-N
XLogP1.62
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.62
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

(5-Phenyl-1,2-oxazol-3-yl)methanol
CID 1481082
5-Phenyl-3-isoxazolecarboxylic acid
CID 151916
Methyl 5-phenyl-1,2-oxazole-3-carboxylate
CID 905953
5-(4-Fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1096392
5-(4-Hydroxyphenyl)isoxazole-3-carboxylic acid
CID 1090983
5-(4-Methylphenyl)isoxazole-3-carboxylic acid
CID 973883
5-(4-Bromophenyl)isoxazole-3-carboxylic acid
CID 2771350
5-(2-Chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1090977
5-(4-Chlorophenyl)isoxazole-3-carboxylic acid
CID 1133644
5-(4-Nitrophenyl)-3-isoxazolecarboxylic acid
CID 2771351
5-(3,4-Difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 33679719
5-(2-Nitrophenyl)-1,2-oxazole-3-carboxylic acid
CID 67547541

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid (CID 45267906) is 5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid is Nc1ccc(-c2cc(C(=O)O)no2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is NLLYBPACIUYZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,11H2,(H,13,14).
What are the key properties of 5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid?
5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 45267906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).