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

C6H10N2O2 — CID 82594349

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
SMILESCc1nc(CNO)oc1C
InChIInChI=1S/C6H10N2O2/c1-4-5(2)10-6(8-4)3-7-9/h7,9H,3H2,1-2H3
InChIKeyZQHFVSBGCQPHBS-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.77
Rot. Bonds2

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine (PubChem CID 82594349) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
PubChem CID82594349
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
SMILESCc1nc(CNO)oc1C
InChIInChI=1S/C6H10N2O2/c1-4-5(2)10-6(8-4)3-7-9/h7,9H,3H2,1-2H3
InChIKeyZQHFVSBGCQPHBS-UHFFFAOYSA-N
XLogP0.77
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine (CID 82594349) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine is Cc1nc(CNO)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine?
The InChIKey is ZQHFVSBGCQPHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-5(2)10-6(8-4)3-7-9/h7,9H,3H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine has a molecular weight of 142.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 82594349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).