N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide

C4H4N4O4 — CID 4095460

IUPACN-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide
SMILESCC(=O)Nc1nonc1[N+](=O)[O-]
InChIInChI=1S/C4H4N4O4/c1-2(9)5-3-4(8(10)11)7-12-6-3/h1H3,(H,5,6,9)
InChIKeySXUQUWWNZIKXBO-UHFFFAOYSA-N
MW172.10 g/mol
LogP-0.06
Rot. Bonds2

About N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide

N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 4095460) has the molecular formula C4H4N4O4 and a molecular weight of 172.10 g/mol. Its IUPAC name is N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID4095460
Molecular FormulaC4H4N4O4
Molecular Weight172.10 g/mol
Exact Mass172.02
IUPAC NameN-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide
SMILESCC(=O)Nc1nonc1[N+](=O)[O-]
InChIInChI=1S/C4H4N4O4/c1-2(9)5-3-4(8(10)11)7-12-6-3/h1H3,(H,5,6,9)
InChIKeySXUQUWWNZIKXBO-UHFFFAOYSA-N
XLogP-0.06
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide (CID 4095460) is N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide is CC(=O)Nc1nonc1[N+](=O)[O-].
What is the InChIKey of N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is SXUQUWWNZIKXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O4/c1-2(9)5-3-4(8(10)11)7-12-6-3/h1H3,(H,5,6,9).
What are the key properties of N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide?
N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 172.10 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 4095460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).