N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine

C6H10N2O2 — CID 135457117

IUPACN-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine
SMILESCC1=NOC(C)(C)C1=NO
InChIInChI=1S/C6H10N2O2/c1-4-5(7-9)6(2,3)10-8-4/h9H,1-3H3
InChIKeyVYDZIPRJCGZSON-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.00
Rot. Bonds

About N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine

N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine (PubChem CID 135457117) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine
PubChem CID135457117
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine
SMILESCC1=NOC(C)(C)C1=NO
InChIInChI=1S/C6H10N2O2/c1-4-5(7-9)6(2,3)10-8-4/h9H,1-3H3
InChIKeyVYDZIPRJCGZSON-UHFFFAOYSA-N
XLogP1.00
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.00
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 N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)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 N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine?
The IUPAC name of N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine (CID 135457117) is N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine?
The canonical SMILES for N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine is CC1=NOC(C)(C)C1=NO.
What is the InChIKey of N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine?
The InChIKey is VYDZIPRJCGZSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-5(7-9)6(2,3)10-8-4/h9H,1-3H3.
What are the key properties of N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine?
N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine has a molecular weight of 142.16 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 135457117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).