(NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine

C5H7N3O3 — CID 142341950

IUPAC(NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
SMILESCOc1nonc1/C(C)=N/O
InChIInChI=1S/C5H7N3O3/c1-3(6-9)4-5(10-2)8-11-7-4/h9H,1-2H3/b6-3+
InChIKeyGSXJRWQEOWVABU-ZZXKWVIFSA-N
MW157.13 g/mol
LogP0.28
Rot. Bonds2

About (NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine

(NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine (PubChem CID 142341950) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is (NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
PubChem CID142341950
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name(NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
SMILESCOc1nonc1/C(C)=N/O
InChIInChI=1S/C5H7N3O3/c1-3(6-9)4-5(10-2)8-11-7-4/h9H,1-2H3/b6-3+
InChIKeyGSXJRWQEOWVABU-ZZXKWVIFSA-N
XLogP0.28
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-methyl-1,2,5-oxadiazole
CID 23261248
(NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine
CID 135637374
(NE)-N-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]ethylidene]hydroxylamine
CID 135699185
4-methoxy-1,2,5-oxadiazole-3-carbonitrile
CID 82418880
4-methoxy-1,2,5-oxadiazole-3-sulfonamide
CID 118705769
(3Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride
CID 153434851
(NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine
CID 135600943
(NZ)-N-[1-(3,5-dimethoxyphenyl)ethylidene]hydroxylamine
CID 96551764
N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide
CID 142416542
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
CID 137272272
5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 146200467
(4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate
CID 153434860

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine (CID 142341950) is (NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine is COc1nonc1/C(C)=N/O.
What is the InChIKey of (NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine?
The InChIKey is GSXJRWQEOWVABU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H7N3O3/c1-3(6-9)4-5(10-2)8-11-7-4/h9H,1-2H3/b6-3+.
What are the key properties of (NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine has a molecular weight of 157.13 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 142341950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).