2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide

C11H14N6O3 — CID 6946004

IUPAC2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide
SMILESNC1=NONC1=C(N)NOCC(=O)Nc1ccccc1
InChIInChI=1S/C11H14N6O3/c12-10(9-11(13)17-20-15-9)16-19-6-8(18)14-7-4-2-1-3-5-7/h1-5,15-16H,6,12H2,(H2,13,17)(H,14,18)
InChIKeyJAKIRRURMQYTMD-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.92
Rot. Bonds5

About 2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide

2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide (PubChem CID 6946004) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide
PubChem CID6946004
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide
SMILESNC1=NONC1=C(N)NOCC(=O)Nc1ccccc1
InChIInChI=1S/C11H14N6O3/c12-10(9-11(13)17-20-15-9)16-19-6-8(18)14-7-4-2-1-3-5-7/h1-5,15-16H,6,12H2,(H2,13,17)(H,14,18)
InChIKeyJAKIRRURMQYTMD-UHFFFAOYSA-N
XLogP-0.92
TPSA136.02 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-acetamidooxy-N-phenylacetamide
CID 137320659
2-aminooxy-N-phenylacetamide
CID 68980997
bis(2-anilino-2-oxoethyl) (E)-but-2-enedioate
CID 9010738
2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide
CID 4074279
ethane;2-methoxy-N-phenylacetamide;yttrium
CID 159976159
ethyl 3-anilino-3-oxopropanoate
CID 3016808
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
CID 61320739
(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
CID 7795395
2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide
CID 58778266
gold;N-phenyl-2-sulfanylacetamide
CID 138394114

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide?
The IUPAC name of 2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide (CID 6946004) is 2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide?
The canonical SMILES for 2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide is NC1=NONC1=C(N)NOCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide?
The InChIKey is JAKIRRURMQYTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c12-10(9-11(13)17-20-15-9)16-19-6-8(18)14-7-4-2-1-3-5-7/h1-5,15-16H,6,12H2,(H2,13,17)(H,14,18).
What are the key properties of 2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide?
2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide has a molecular weight of 278.27 g/mol, XLogP of -0.92, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-amino-1,2,5-oxadiazol-3-ylidene)methyl]amino]oxy-N-phenylacetamide is sourced from PubChem (CID 6946004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).