O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine

C17H14Cl2F3N3O2 — CID 58533503

IUPACO-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine
SMILESCN(ON)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C17H14Cl2F3N3O2/c1-25(27-23)14-4-2-3-10(5-14)15-9-16(26-24-15,17(20,21)22)11-6-12(18)8-13(19)7-11/h2-8H,9,23H2,1H3
InChIKeyVYHLGIIXZINSPW-UHFFFAOYSA-N
MW420.22 g/mol
LogP4.82
Rot. Bonds4

About O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine

O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine (PubChem CID 58533503) has the molecular formula C17H14Cl2F3N3O2 and a molecular weight of 420.22 g/mol. Its IUPAC name is O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine.

Molecular Properties

Compound NameO-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine
PubChem CID58533503
Molecular FormulaC17H14Cl2F3N3O2
Molecular Weight420.22 g/mol
Exact Mass419.04
IUPAC NameO-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine
SMILESCN(ON)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C17H14Cl2F3N3O2/c1-25(27-23)14-4-2-3-10(5-14)15-9-16(26-24-15,17(20,21)22)11-6-12(18)8-13(19)7-11/h2-8H,9,23H2,1H3
InChIKeyVYHLGIIXZINSPW-UHFFFAOYSA-N
XLogP4.82
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.22
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine?
The IUPAC name of O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine (CID 58533503) is O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine.
What is the SMILES notation for O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine?
The canonical SMILES for O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine is CN(ON)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1.
What is the InChIKey of O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine?
The InChIKey is VYHLGIIXZINSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3N3O2/c1-25(27-23)14-4-2-3-10(5-14)15-9-16(26-24-15,17(20,21)22)11-6-12(18)8-13(19)7-11/h2-8H,9,23H2,1H3.
What are the key properties of O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine?
O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine has a molecular weight of 420.22 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylanilino]hydroxylamine is sourced from PubChem (CID 58533503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).