(NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine

C6H8N2O2 — CID 60639672

IUPAC(NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine
SMILESCc1noc(C)c1/C=N/O
InChIInChI=1S/C6H8N2O2/c1-4-6(3-7-9)5(2)10-8-4/h3,9H,1-2H3/b7-3+
InChIKeyCNNSQVKNYJKVBB-XVNBXDOJSA-N
MW140.14 g/mol
LogP1.10
Rot. Bonds1

About (NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine

(NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine (PubChem CID 60639672) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is (NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine
PubChem CID60639672
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name(NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine
SMILESCc1noc(C)c1/C=N/O
InChIInChI=1S/C6H8N2O2/c1-4-6(3-7-9)5(2)10-8-4/h3,9H,1-2H3/b7-3+
InChIKeyCNNSQVKNYJKVBB-XVNBXDOJSA-N
XLogP1.10
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.10
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'}

Analyze (NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine (CID 60639672) is (NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine is Cc1noc(C)c1/C=N/O.
What is the InChIKey of (NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine?
The InChIKey is CNNSQVKNYJKVBB-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-6(3-7-9)5(2)10-8-4/h3,9H,1-2H3/b7-3+.
What are the key properties of (NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine?
(NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine has a molecular weight of 140.14 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 60639672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).