2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide

C6H6IN3O3 — CID 14050947

IUPAC2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide
SMILESO=C(CI)NC(=O)Nc1ccon1
InChIInChI=1S/C6H6IN3O3/c7-3-5(11)9-6(12)8-4-1-2-13-10-4/h1-2H,3H2,(H2,8,9,10,11,12)
InChIKeyAHEJMTLEJNXQFA-UHFFFAOYSA-N
MW295.04 g/mol
LogP0.76
Rot. Bonds2

About 2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide

2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide (PubChem CID 14050947) has the molecular formula C6H6IN3O3 and a molecular weight of 295.04 g/mol. Its IUPAC name is 2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide
PubChem CID14050947
Molecular FormulaC6H6IN3O3
Molecular Weight295.04 g/mol
Exact Mass294.95
IUPAC Name2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide
SMILESO=C(CI)NC(=O)Nc1ccon1
InChIInChI=1S/C6H6IN3O3/c7-3-5(11)9-6(12)8-4-1-2-13-10-4/h1-2H,3H2,(H2,8,9,10,11,12)
InChIKeyAHEJMTLEJNXQFA-UHFFFAOYSA-N
XLogP0.76
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.04
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-oxazol-3-yl)-3-oxobutanamide
CID 62902230
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
4-amino-N-(1,2-oxazol-3-yl)butanamide
CID 62903598
1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811838
1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6470703
[3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid
CID 71724313
1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 971367
1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea
CID 108811814
1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811788
1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
CID 108812055
2,2-difluoro-N-(1,2-oxazol-3-yl)acetamide
CID 103515463
1-cycloheptyl-3-(1,2-oxazol-3-yl)urea
CID 108811981

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide?
The IUPAC name of 2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide (CID 14050947) is 2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide?
The canonical SMILES for 2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide is O=C(CI)NC(=O)Nc1ccon1.
What is the InChIKey of 2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide?
The InChIKey is AHEJMTLEJNXQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IN3O3/c7-3-5(11)9-6(12)8-4-1-2-13-10-4/h1-2H,3H2,(H2,8,9,10,11,12).
What are the key properties of 2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide?
2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide has a molecular weight of 295.04 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide is sourced from PubChem (CID 14050947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).