(NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine

C7H9N3O3 — CID 135637374

IUPAC(NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1conc1/C(C)=N/O
InChIInChI=1S/C7H9N3O3/c1-4(8-11)6-3-13-10-7(6)5(2)9-12/h3,11-12H,1-2H3/b8-4-,9-5+
InChIKeyDVZQLZOYKVPELR-MVTUOISNSA-N
MW183.17 g/mol
LogP1.07
Rot. Bonds2

About (NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine

(NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine (PubChem CID 135637374) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is (NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine
PubChem CID135637374
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name(NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1conc1/C(C)=N/O
InChIInChI=1S/C7H9N3O3/c1-4(8-11)6-3-13-10-7(6)5(2)9-12/h3,11-12H,1-2H3/b8-4-,9-5+
InChIKeyDVZQLZOYKVPELR-MVTUOISNSA-N
XLogP1.07
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.07
H-Bond Donors ≤ 52
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

(NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
CID 142341950
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136640862
methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 125489980
4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol
CID 137262701
N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine
CID 71370058
N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride
CID 137005773
(NE)-N-[1-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]ethylidene]hydroxylamine
CID 172935187
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
CID 135589061
[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]boronic acid
CID 119085473
(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
CID 135617987
(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine
CID 22256023

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine (CID 135637374) is (NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine is C/C(=N/O)c1conc1/C(C)=N/O.
What is the InChIKey of (NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine?
The InChIKey is DVZQLZOYKVPELR-MVTUOISNSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4(8-11)6-3-13-10-7(6)5(2)9-12/h3,11-12H,1-2H3/b8-4-,9-5+.
What are the key properties of (NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine?
(NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine has a molecular weight of 183.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-oxazol-4-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 135637374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).