N-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine

C10H9N3O3 — CID 562341

IUPACN-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine
SMILESCc1ccc(-c2noc(N=O)c2NO)cc1
InChIInChI=1S/C10H9N3O3/c1-6-2-4-7(5-3-6)8-9(11-14)10(12-15)16-13-8/h2-5,11,14H,1H3
InChIKeyCYWOQMBDVZMPPE-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.85
Rot. Bonds3

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

N-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine (PubChem CID 562341) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine
PubChem CID562341
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC NameN-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine
SMILESCc1ccc(-c2noc(N=O)c2NO)cc1
InChIInChI=1S/C10H9N3O3/c1-6-2-4-7(5-3-6)8-9(11-14)10(12-15)16-13-8/h2-5,11,14H,1H3
InChIKeyCYWOQMBDVZMPPE-UHFFFAOYSA-N
XLogP2.85
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine?
The IUPAC name of N-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine (CID 562341) is N-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine.
What is the SMILES notation for N-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine?
The canonical SMILES for N-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine is Cc1ccc(-c2noc(N=O)c2NO)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine?
The InChIKey is CYWOQMBDVZMPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-6-2-4-7(5-3-6)8-9(11-14)10(12-15)16-13-8/h2-5,11,14H,1H3.
What are the key properties of N-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine?
N-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine has a molecular weight of 219.20 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-5-nitroso-1,2-oxazol-4-yl]hydroxylamine is sourced from PubChem (CID 562341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).