O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine

C6H12N2O2 — CID 142932736

IUPACO-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine
SMILESCC1(C)COC(CON)=N1
InChIInChI=1S/C6H12N2O2/c1-6(2)4-9-5(8-6)3-10-7/h3-4,7H2,1-2H3
InChIKeyTYESBAWUNXBAGT-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.08
Rot. Bonds2

About O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine

O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine (PubChem CID 142932736) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine
PubChem CID142932736
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameO-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine
SMILESCC1(C)COC(CON)=N1
InChIInChI=1S/C6H12N2O2/c1-6(2)4-9-5(8-6)3-10-7/h3-4,7H2,1-2H3
InChIKeyTYESBAWUNXBAGT-UHFFFAOYSA-N
XLogP0.08
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole
CID 3041075
5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene
CID 163449515
2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101336400
2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole
CID 91705204
4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
CID 10727505
4,4-dimethyl-2-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]-5H-1,3-oxazole
CID 91705221
2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
CID 71426920
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
2-[(E)-heptadec-8-enyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370405
3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one
CID 86227487
4,4-dimethyl-2-(3,5,5,5-tetrachloro-2,2-dimethylpentyl)-5H-1,3-oxazole
CID 23348000
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one
CID 143195353

Frequently Asked Questions

What is the IUPAC name of O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine (CID 142932736) is O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine is CC1(C)COC(CON)=N1.
What is the InChIKey of O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine?
The InChIKey is TYESBAWUNXBAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-6(2)4-9-5(8-6)3-10-7/h3-4,7H2,1-2H3.
What are the key properties of O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine?
O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine has a molecular weight of 144.17 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 142932736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).