methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate

C19H19N3O3 — CID 167061902

IUPACmethyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(-c3c(C)noc3C)ccc2N)cc1
InChIInChI=1S/C19H19N3O3/c1-11-18(12(2)25-22-11)14-6-9-16(20)17(10-14)21-15-7-4-13(5-8-15)19(23)24-3/h4-10,21H,20H2,1-3H3
InChIKeyWEUFMYMRCXZBLK-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.07
Rot. Bonds4

About methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate

methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate (PubChem CID 167061902) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate
PubChem CID167061902
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(-c3c(C)noc3C)ccc2N)cc1
InChIInChI=1S/C19H19N3O3/c1-11-18(12(2)25-22-11)14-6-9-16(20)17(10-14)21-15-7-4-13(5-8-15)19(23)24-3/h4-10,21H,20H2,1-3H3
InChIKeyWEUFMYMRCXZBLK-UHFFFAOYSA-N
XLogP4.07
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
CID 101483431
methyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylanilino)benzoate
CID 90375101
methyl 4-(2-aminoanilino)benzoate
CID 68667054
methyl 4-amino-3-(3,5-dimethylanilino)benzoate
CID 82784878
methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3H-benzimidazol-1-yl]benzoate
CID 167061903
methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate
CID 122688323
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile
CID 155187782
methyl 2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-hydroxy-2-methylbutyl)amino]benzoate
CID 123508949
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide
CID 70693763
ethyl 4-(2-amino-5-chloroanilino)benzoate
CID 69243688
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110669843
methyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methylphenyl)methyl]benzoate
CID 147155433

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate?
The IUPAC name of methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate (CID 167061902) is methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate.
What is the SMILES notation for methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate?
The canonical SMILES for methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate is COC(=O)c1ccc(Nc2cc(-c3c(C)noc3C)ccc2N)cc1.
What is the InChIKey of methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate?
The InChIKey is WEUFMYMRCXZBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-18(12(2)25-22-11)14-6-9-16(20)17(10-14)21-15-7-4-13(5-8-15)19(23)24-3/h4-10,21H,20H2,1-3H3.
What are the key properties of methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate?
methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate has a molecular weight of 337.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate is sourced from PubChem (CID 167061902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).