2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid

C11H11N3O3 — CID 106422640

IUPAC2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid
SMILESNc1ccc(NCc2ccno2)cc1C(=O)O
InChIInChI=1S/C11H11N3O3/c12-10-2-1-7(5-9(10)11(15)16)13-6-8-3-4-14-17-8/h1-5,13H,6,12H2,(H,15,16)
InChIKeyMUNJESXWTXQIBC-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid

2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid (PubChem CID 106422640) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid
PubChem CID106422640
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid
SMILESNc1ccc(NCc2ccno2)cc1C(=O)O
InChIInChI=1S/C11H11N3O3/c12-10-2-1-7(5-9(10)11(15)16)13-6-8-3-4-14-17-8/h1-5,13H,6,12H2,(H,15,16)
InChIKeyMUNJESXWTXQIBC-UHFFFAOYSA-N
XLogP1.57
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106419253
1-[2-amino-4-(1,2-oxazol-5-ylmethylamino)phenyl]ethanone
CID 106414616
5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106423276
2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106419123
5-fluoro-2-(1,2-oxazol-5-ylmethylamino)pyridine-3-carboxylic acid
CID 106419255
2-amino-5-[(2-bromophenyl)methylamino]benzoic acid
CID 61413975
3-chloro-5-nitro-2-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106419286
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707
2-amino-5-[(2-chlorophenyl)methylamino]benzoic acid
CID 54887803
2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
CID 60989382
2-amino-5-(4,4,4-trifluorobutylamino)benzoic acid
CID 115521848
3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide
CID 106414526

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The IUPAC name of 2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid (CID 106422640) is 2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid.
What is the SMILES notation for 2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The canonical SMILES for 2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid is Nc1ccc(NCc2ccno2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The InChIKey is MUNJESXWTXQIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-10-2-1-7(5-9(10)11(15)16)13-6-8-3-4-14-17-8/h1-5,13H,6,12H2,(H,15,16).
What are the key properties of 2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid?
2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid has a molecular weight of 233.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid is sourced from PubChem (CID 106422640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).