N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine

C15H12F2N4O2 — CID 89225182

IUPACN-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine
SMILESNc1nc(-c2c(F)cccc2F)oc1Nc1ccc(NO)cc1
InChIInChI=1S/C15H12F2N4O2/c16-10-2-1-3-11(17)12(10)14-20-13(18)15(23-14)19-8-4-6-9(21-22)7-5-8/h1-7,19,21-22H,18H2
InChIKeyGLPIEOZDYQWTBL-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.75
Rot. Bonds4

About N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine

N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine (PubChem CID 89225182) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine
PubChem CID89225182
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC NameN-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine
SMILESNc1nc(-c2c(F)cccc2F)oc1Nc1ccc(NO)cc1
InChIInChI=1S/C15H12F2N4O2/c16-10-2-1-3-11(17)12(10)14-20-13(18)15(23-14)19-8-4-6-9(21-22)7-5-8/h1-7,19,21-22H,18H2
InChIKeyGLPIEOZDYQWTBL-UHFFFAOYSA-N
XLogP3.75
TPSA96.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.75
H-Bond Donors ≤ 54
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-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine?
The IUPAC name of N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine (CID 89225182) is N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine.
What is the SMILES notation for N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine?
The canonical SMILES for N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine is Nc1nc(-c2c(F)cccc2F)oc1Nc1ccc(NO)cc1.
What is the InChIKey of N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine?
The InChIKey is GLPIEOZDYQWTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c16-10-2-1-3-11(17)12(10)14-20-13(18)15(23-14)19-8-4-6-9(21-22)7-5-8/h1-7,19,21-22H,18H2.
What are the key properties of N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine?
N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine has a molecular weight of 318.28 g/mol, XLogP of 3.75, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-amino-2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]phenyl]hydroxylamine is sourced from PubChem (CID 89225182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).