2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide

C12H15N3O4 — CID 55054065

IUPAC2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
SMILESCn1c(=O)oc2cc(C(N)COCC(N)=O)ccc21
InChIInChI=1S/C12H15N3O4/c1-15-9-3-2-7(4-10(9)19-12(15)17)8(13)5-18-6-11(14)16/h2-4,8H,5-6,13H2,1H3,(H2,14,16)
InChIKeyIKSYZMCATCSZEL-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.37
Rot. Bonds5

About 2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide

2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide (PubChem CID 55054065) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
PubChem CID55054065
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
SMILESCn1c(=O)oc2cc(C(N)COCC(N)=O)ccc21
InChIInChI=1S/C12H15N3O4/c1-15-9-3-2-7(4-10(9)19-12(15)17)8(13)5-18-6-11(14)16/h2-4,8H,5-6,13H2,1H3,(H2,14,16)
InChIKeyIKSYZMCATCSZEL-UHFFFAOYSA-N
XLogP-0.37
TPSA113.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
CID 62299705
6-(1-aminononyl)-3-methyl-1,3-benzoxazol-2-one
CID 65447465
4-amino-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanenitrile
CID 116940059
6-[(1S)-1-aminopropyl]-3-propyl-1,3-benzoxazol-2-one
CID 82758221
6-(1-amino-2-pyrrolidin-2-ylethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116936028
6-(1,2-diamino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932681
6-(1-hydroxy-2-propylpentyl)-3-methyl-1,3-benzoxazol-2-one
CID 82987811
6-(4-amino-1-hydroxybutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341274
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide
CID 113358305
6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62273475
6-[amino-(3-bromophenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62275350
methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate
CID 62298655

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide (CID 55054065) is 2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide is Cn1c(=O)oc2cc(C(N)COCC(N)=O)ccc21.
What is the InChIKey of 2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide?
The InChIKey is IKSYZMCATCSZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-15-9-3-2-7(4-10(9)19-12(15)17)8(13)5-18-6-11(14)16/h2-4,8H,5-6,13H2,1H3,(H2,14,16).
What are the key properties of 2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide?
2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide has a molecular weight of 265.27 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide is sourced from PubChem (CID 55054065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).