2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide

C13H17N3O3 — CID 43447892

IUPAC2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(=O)oc2ccc(N)cc21
InChIInChI=1S/C13H17N3O3/c1-3-15(4-2)12(17)8-16-10-7-9(14)5-6-11(10)19-13(16)18/h5-7H,3-4,8,14H2,1-2H3
InChIKeySWDQFCAHAQCZLB-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.05
Rot. Bonds4

About 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide

2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide (PubChem CID 43447892) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide
PubChem CID43447892
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(=O)oc2ccc(N)cc21
InChIInChI=1S/C13H17N3O3/c1-3-15(4-2)12(17)8-16-10-7-9(14)5-6-11(10)19-13(16)18/h5-7H,3-4,8,14H2,1-2H3
InChIKeySWDQFCAHAQCZLB-UHFFFAOYSA-N
XLogP1.05
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488264
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide
CID 43447893
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentylacetamide
CID 43447858
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide
CID 61487292
3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
CID 50842004
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 6485818
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid
CID 61307519
5-amino-3-(2-propylsulfonylethyl)-1,3-benzoxazol-2-one
CID 106724662
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 61307344
methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate
CID 87020691
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate
CID 87020688

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide (CID 43447892) is 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(=O)oc2ccc(N)cc21.
What is the InChIKey of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide?
The InChIKey is SWDQFCAHAQCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-15(4-2)12(17)8-16-10-7-9(14)5-6-11(10)19-13(16)18/h5-7H,3-4,8,14H2,1-2H3.
What are the key properties of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide?
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide has a molecular weight of 263.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide is sourced from PubChem (CID 43447892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).