N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide

C9H12N4O5 — CID 3897594

IUPACN-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide
SMILESCC(=O)Nc1no[n+]([O-])c1C(=O)N1CCOCC1
InChIInChI=1S/C9H12N4O5/c1-6(14)10-8-7(13(16)18-11-8)9(15)12-2-4-17-5-3-12/h2-5H2,1H3,(H,10,11,14)
InChIKeyPKHMJHQMOFQEJW-UHFFFAOYSA-N
MW256.22 g/mol
LogP-1.26
Rot. Bonds2

About N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide

N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide (PubChem CID 3897594) has the molecular formula C9H12N4O5 and a molecular weight of 256.22 g/mol. Its IUPAC name is N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide
PubChem CID3897594
Molecular FormulaC9H12N4O5
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC NameN-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide
SMILESCC(=O)Nc1no[n+]([O-])c1C(=O)N1CCOCC1
InChIInChI=1S/C9H12N4O5/c1-6(14)10-8-7(13(16)18-11-8)9(15)12-2-4-17-5-3-12/h2-5H2,1H3,(H,10,11,14)
InChIKeyPKHMJHQMOFQEJW-UHFFFAOYSA-N
XLogP-1.26
TPSA111.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide?
The IUPAC name of N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide (CID 3897594) is N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide.
What is the SMILES notation for N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide?
The canonical SMILES for N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide is CC(=O)Nc1no[n+]([O-])c1C(=O)N1CCOCC1.
What is the InChIKey of N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide?
The InChIKey is PKHMJHQMOFQEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O5/c1-6(14)10-8-7(13(16)18-11-8)9(15)12-2-4-17-5-3-12/h2-5H2,1H3,(H,10,11,14).
What are the key properties of N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide?
N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide has a molecular weight of 256.22 g/mol, XLogP of -1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholine-4-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]acetamide is sourced from PubChem (CID 3897594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).