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

C15H19N3O3 — CID 79231115

IUPACmethyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate
SMILESCOC(=O)c1cc(N)ccc1NC(C)c1c(C)noc1C
InChIInChI=1S/C15H19N3O3/c1-8(14-9(2)18-21-10(14)3)17-13-6-5-11(16)7-12(13)15(19)20-4/h5-8,17H,16H2,1-4H3
InChIKeyFXVHSNYIZHOTRU-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.83
Rot. Bonds4

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

methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate (PubChem CID 79231115) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate
PubChem CID79231115
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate
SMILESCOC(=O)c1cc(N)ccc1NC(C)c1c(C)noc1C
InChIInChI=1S/C15H19N3O3/c1-8(14-9(2)18-21-10(14)3)17-13-6-5-11(16)7-12(13)15(19)20-4/h5-8,17H,16H2,1-4H3
InChIKeyFXVHSNYIZHOTRU-UHFFFAOYSA-N
XLogP2.83
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate?
The IUPAC name of methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate (CID 79231115) is methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate.
What is the SMILES notation for methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate?
The canonical SMILES for methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate is COC(=O)c1cc(N)ccc1NC(C)c1c(C)noc1C.
What is the InChIKey of methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate?
The InChIKey is FXVHSNYIZHOTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-8(14-9(2)18-21-10(14)3)17-13-6-5-11(16)7-12(13)15(19)20-4/h5-8,17H,16H2,1-4H3.
What are the key properties of methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate?
methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate has a molecular weight of 289.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate is sourced from PubChem (CID 79231115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).