N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C12H14N2O4 — CID 3580508

IUPACN-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C12H14N2O4/c1-17-7-6-13-11(15)8-14-9-4-2-3-5-10(9)18-12(14)16/h2-5H,6-8H2,1H3,(H,13,15)
InChIKeyMJYKGAPCVISHFX-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.36
Rot. Bonds5

About N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 3580508) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID3580508
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C12H14N2O4/c1-17-7-6-13-11(15)8-14-9-4-2-3-5-10(9)18-12(14)16/h2-5H,6-8H2,1H3,(H,13,15)
InChIKeyMJYKGAPCVISHFX-UHFFFAOYSA-N
XLogP0.36
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide
CID 61487292
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46522148
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4244209
3-[3-(2-methoxyethylamino)propyl]-1,3-benzoxazol-2-one
CID 62564028
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131905602
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(propan-2-ylideneamino)acetamide
CID 89398509
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 3580508) is N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COCCNC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is MJYKGAPCVISHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-17-7-6-13-11(15)8-14-9-4-2-3-5-10(9)18-12(14)16/h2-5H,6-8H2,1H3,(H,13,15).
What are the key properties of N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 250.25 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 3580508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).