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

C13H16N2O3 — CID 4808042

IUPACN-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCCCNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-2-3-8-14-12(16)9-15-10-6-4-5-7-11(10)18-13(15)17/h4-7H,2-3,8-9H2,1H3,(H,14,16)
InChIKeyKELQILUQBHZYRW-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.51
Rot. Bonds5

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

N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 4808042) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID4808042
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCCCNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-2-3-8-14-12(16)9-15-10-6-4-5-7-11(10)18-13(15)17/h4-7H,2-3,8-9H2,1H3,(H,14,16)
InChIKeyKELQILUQBHZYRW-UHFFFAOYSA-N
XLogP1.51
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 74711303
N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4244209
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46522148
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889
N-[3-(1,2-oxazol-4-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91814413
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38449520
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
3-[2-(butylamino)ethyl]-1,3-benzoxazol-2-one
CID 60765754

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 4808042) is N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCCCNC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is KELQILUQBHZYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-3-8-14-12(16)9-15-10-6-4-5-7-11(10)18-13(15)17/h4-7H,2-3,8-9H2,1H3,(H,14,16).
What are the key properties of N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 4808042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).