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

C9H12N4O5 — CID 135510851

IUPACN-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)N2CCOCC2)no[n+]1[O-]
InChIInChI=1S/C9H12N4O5/c1-6(14)10-8-7(11-18-13(8)16)9(15)12-2-4-17-5-3-12/h2-5H2,1H3,(H,10,14)
InChIKeyIFGUVHRCXMYUPV-UHFFFAOYSA-N
MW256.22 g/mol
LogP-1.26
Rot. Bonds2

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

N-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide (PubChem CID 135510851) has the molecular formula C9H12N4O5 and a molecular weight of 256.22 g/mol. Its IUPAC name is N-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide
PubChem CID135510851
Molecular FormulaC9H12N4O5
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC NameN-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)N2CCOCC2)no[n+]1[O-]
InChIInChI=1S/C9H12N4O5/c1-6(14)10-8-7(11-18-13(8)16)9(15)12-2-4-17-5-3-12/h2-5H2,1H3,(H,10,14)
InChIKeyIFGUVHRCXMYUPV-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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Related Compounds

4-(Morpholine-4-carbonyl)-1,2,5-oxadiazol-3-amine
CID 551072
4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 567684
Propanamide, N-(4-methyl-1,2,5-oxadiazol-3-yl)-3-morpholino-
CID 567607
6-Ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1-oxido-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-5,7-dione
CID 20097003
6-(2-Morpholin-4-yl-2-oxoethyl)-1-oxido-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-7-one
CID 20097011
4-Morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide
CID 118983731
6-ethyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7(4H,6H)-dione-1-oxide
CID 135795659
6-Ethyl-4-(2-morpholin-2-yl-2-oxoethyl)-1-oxido-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-5,7-dione
CID 139634849
4-Amino-3-(morpholine-4-carbonyl)-1,2,5-oxadiazol-2-ium-2-olate
CID 3140728
N-[4-(morpholin-4-ylcarbonyl)-5-oxido-1,2,5-oxadiazol-3-yl]acetamide
CID 3897594
4-amino-N-(3-morpholin-4-ium-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 7282570
(4-Amino-1,2,5-oxadiazol-3-yl)(2,6-dimethylmorpholin-4-yl)methanone
CID 49879854

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide?
The IUPAC name of N-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide (CID 135510851) is N-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide.
What is the SMILES notation for N-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide?
The canonical SMILES for N-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide is CC(=O)Nc1c(C(=O)N2CCOCC2)no[n+]1[O-].
What is the InChIKey of N-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide?
The InChIKey is IFGUVHRCXMYUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O5/c1-6(14)10-8-7(11-18-13(8)16)9(15)12-2-4-17-5-3-12/h2-5H2,1H3,(H,10,14).
What are the key properties of N-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide?
N-[4-(morpholine-4-carbonyl)-2-oxido-1,2,5-oxadiazol-2-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)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]acetamide is sourced from PubChem (CID 135510851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).