4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine

C9H15N5O3 — CID 5340009

IUPAC4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine
SMILESCCO/N=C(\c1nonc1N)N1CCOCC1
InChIInChI=1S/C9H15N5O3/c1-2-16-13-9(7-8(10)12-17-11-7)14-3-5-15-6-4-14/h2-6H2,1H3,(H2,10,12)/b13-9+
InChIKeyYFDMPNJRGROZGJ-UKTHLTGXSA-N
MW241.25 g/mol
LogP-0.32
Rot. Bonds3

About 4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine

4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine (PubChem CID 5340009) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine
PubChem CID5340009
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine
SMILESCCO/N=C(\c1nonc1N)N1CCOCC1
InChIInChI=1S/C9H15N5O3/c1-2-16-13-9(7-8(10)12-17-11-7)14-3-5-15-6-4-14/h2-6H2,1H3,(H2,10,12)/b13-9+
InChIKeyYFDMPNJRGROZGJ-UKTHLTGXSA-N
XLogP-0.32
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] benzoate
CID 6368557
4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide
CID 94844331
(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine
CID 135821745
[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone
CID 11452890
4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide
CID 7657873
(4-amino-1,2,5-oxadiazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 55116536
(4-amino-1,2,5-oxadiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107219737
(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine
CID 135874153
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144967
4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide
CID 6374861
(4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 62687829
(E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one
CID 56965667

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine (CID 5340009) is 4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine is CCO/N=C(\c1nonc1N)N1CCOCC1.
What is the InChIKey of 4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine?
The InChIKey is YFDMPNJRGROZGJ-UKTHLTGXSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-2-16-13-9(7-8(10)12-17-11-7)14-3-5-15-6-4-14/h2-6H2,1H3,(H2,10,12)/b13-9+.
What are the key properties of 4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine?
4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine has a molecular weight of 241.25 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 5340009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).