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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Related Compounds

N-(4-acetamido-1,2,5-oxadiazol-3-yl)acetamide
CID 654039
N-[4-(2-chlorophenyl)-1,2,5-oxadiazol-3-yl]acetamide
CID 158160308
N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide
CID 5191533
N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide
CID 135276709
N-[5-chloro-6-(2-hydroxyethylamino)-3-nitropyrazin-2-yl]acetamide
CID 13062978
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134703607
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-chlorophenoxy)acetamide
CID 134706738
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-nitrobenzamide
CID 19244528
N-(4-nitro-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
CID 101095460
(E)-N-(3-methyl-1,2-oxazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 45284592
N-(4-nitro-1,2-thiazol-5-yl)acetamide
CID 10261859
N-[4-[(4-acetamido-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)diazenyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide
CID 137243439

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).