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

C10H7N3O3 — CID 79194815

IUPACN-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESN#CNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C10H7N3O3/c11-6-12-9(14)5-13-7-3-1-2-4-8(7)16-10(13)15/h1-4H,5H2,(H,12,14)
InChIKeyRNYYMCGXQQSQLD-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.19
Rot. Bonds2

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

N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 79194815) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID79194815
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC NameN-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESN#CNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C10H7N3O3/c11-6-12-9(14)5-13-7-3-1-2-4-8(7)16-10(13)15/h1-4H,5H2,(H,12,14)
InChIKeyRNYYMCGXQQSQLD-UHFFFAOYSA-N
XLogP0.19
TPSA88.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(propan-2-ylideneamino)acetamide
CID 89398509
2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 61262096
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 71939920
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125165614
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 79194815) is N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is N#CNC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is RNYYMCGXQQSQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c11-6-12-9(14)5-13-7-3-1-2-4-8(7)16-10(13)15/h1-4H,5H2,(H,12,14).
What are the key properties of N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 217.18 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 79194815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).