5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline

C10H7BrF2N2O — CID 102853229

IUPAC5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2cnco2)cc1Br
InChIInChI=1S/C10H7BrF2N2O/c11-7-1-10(9(13)2-8(7)12)15-4-6-3-14-5-16-6/h1-3,5,15H,4H2
InChIKeyYMIVVHMCWZSOFK-UHFFFAOYSA-N
MW289.08 g/mol
LogP3.33
Rot. Bonds3

About 5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline

5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline (PubChem CID 102853229) has the molecular formula C10H7BrF2N2O and a molecular weight of 289.08 g/mol. Its IUPAC name is 5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline
PubChem CID102853229
Molecular FormulaC10H7BrF2N2O
Molecular Weight289.08 g/mol
Exact Mass287.97
IUPAC Name5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2cnco2)cc1Br
InChIInChI=1S/C10H7BrF2N2O/c11-7-1-10(9(13)2-8(7)12)15-4-6-3-14-5-16-6/h1-3,5,15H,4H2
InChIKeyYMIVVHMCWZSOFK-UHFFFAOYSA-N
XLogP3.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline?
The IUPAC name of 5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline (CID 102853229) is 5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline.
What is the SMILES notation for 5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline?
The canonical SMILES for 5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline is Fc1cc(F)c(NCc2cnco2)cc1Br.
What is the InChIKey of 5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline?
The InChIKey is YMIVVHMCWZSOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O/c11-7-1-10(9(13)2-8(7)12)15-4-6-3-14-5-16-6/h1-3,5,15H,4H2.
What are the key properties of 5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline?
5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline has a molecular weight of 289.08 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-difluoro-N-(1,3-oxazol-5-ylmethyl)aniline is sourced from PubChem (CID 102853229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).