(NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine

C7H10N2O2 — CID 135451131

IUPAC(NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine
SMILESCCCc1cc(/C=N/O)on1
InChIInChI=1S/C7H10N2O2/c1-2-3-6-4-7(5-8-10)11-9-6/h4-5,10H,2-3H2,1H3/b8-5+
InChIKeyZYKZLFOHDPOFNV-VMPITWQZSA-N
MW154.17 g/mol
LogP1.44
Rot. Bonds3

About (NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine

(NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine (PubChem CID 135451131) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine
PubChem CID135451131
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine
SMILESCCCc1cc(/C=N/O)on1
InChIInChI=1S/C7H10N2O2/c1-2-3-6-4-7(5-8-10)11-9-6/h4-5,10H,2-3H2,1H3/b8-5+
InChIKeyZYKZLFOHDPOFNV-VMPITWQZSA-N
XLogP1.44
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine (CID 135451131) is (NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine is CCCc1cc(/C=N/O)on1.
What is the InChIKey of (NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine?
The InChIKey is ZYKZLFOHDPOFNV-VMPITWQZSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-3-6-4-7(5-8-10)11-9-6/h4-5,10H,2-3H2,1H3/b8-5+.
What are the key properties of (NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine?
(NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine has a molecular weight of 154.17 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-propyl-1,2-oxazol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135451131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).