N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide

C7H7N5O3 — CID 106398589

IUPACN-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide
SMILESN#CCNC(=O)C(=O)NCc1ncon1
InChIInChI=1S/C7H7N5O3/c8-1-2-9-6(13)7(14)10-3-5-11-4-15-12-5/h4H,2-3H2,(H,9,13)(H,10,14)
InChIKeyURWWSFZTDJZHRS-UHFFFAOYSA-N
MW209.16 g/mol
LogP-1.67
Rot. Bonds3

About N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide

N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide (PubChem CID 106398589) has the molecular formula C7H7N5O3 and a molecular weight of 209.16 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide
PubChem CID106398589
Molecular FormulaC7H7N5O3
Molecular Weight209.16 g/mol
Exact Mass209.05
IUPAC NameN-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide
SMILESN#CCNC(=O)C(=O)NCc1ncon1
InChIInChI=1S/C7H7N5O3/c8-1-2-9-6(13)7(14)10-3-5-11-4-15-12-5/h4H,2-3H2,(H,9,13)(H,10,14)
InChIKeyURWWSFZTDJZHRS-UHFFFAOYSA-N
XLogP-1.67
TPSA120.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 106396923
2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106399240
2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106409871
2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106409901
N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 23395429
N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 67591023
N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 90885780
N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 91014434
N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 91237923
N,N-dimethyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetamide
CID 151438682
N-propyl-1,2,4-oxadiazole-3-carboxamide
CID 173219708
ethane;N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 178637133

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide (CID 106398589) is N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide is N#CCNC(=O)C(=O)NCc1ncon1.
What is the InChIKey of N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide?
The InChIKey is URWWSFZTDJZHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O3/c8-1-2-9-6(13)7(14)10-3-5-11-4-15-12-5/h4H,2-3H2,(H,9,13)(H,10,14).
What are the key properties of N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide?
N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide has a molecular weight of 209.16 g/mol, XLogP of -1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide is sourced from PubChem (CID 106398589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).