propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate

C14H16N2O3 — CID 82015058

IUPACpropyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate
SMILESCCCOC(=O)c1c(-c2ncco2)ccc(C)c1N
InChIInChI=1S/C14H16N2O3/c1-3-7-19-14(17)11-10(13-16-6-8-18-13)5-4-9(2)12(11)15/h4-6,8H,3,7,15H2,1-2H3
InChIKeyAFQCNDDWWWGAIM-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.80
Rot. Bonds4

About propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate

propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate (PubChem CID 82015058) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate.

Molecular Properties

Compound Namepropyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate
PubChem CID82015058
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namepropyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate
SMILESCCCOC(=O)c1c(-c2ncco2)ccc(C)c1N
InChIInChI=1S/C14H16N2O3/c1-3-7-19-14(17)11-10(13-16-6-8-18-13)5-4-9(2)12(11)15/h4-6,8H,3,7,15H2,1-2H3
InChIKeyAFQCNDDWWWGAIM-UHFFFAOYSA-N
XLogP2.80
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate?
The IUPAC name of propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate (CID 82015058) is propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate.
What is the SMILES notation for propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate?
The canonical SMILES for propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate is CCCOC(=O)c1c(-c2ncco2)ccc(C)c1N.
What is the InChIKey of propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate?
The InChIKey is AFQCNDDWWWGAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-7-19-14(17)11-10(13-16-6-8-18-13)5-4-9(2)12(11)15/h4-6,8H,3,7,15H2,1-2H3.
What are the key properties of propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate?
propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate has a molecular weight of 260.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-amino-3-methyl-6-(1,3-oxazol-2-yl)benzoate is sourced from PubChem (CID 82015058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).