3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline

C11H10BrFN2O — CID 84587908

IUPAC3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCc1cnc(CNc2cc(F)cc(Br)c2)o1
InChIInChI=1S/C11H10BrFN2O/c1-7-5-15-11(16-7)6-14-10-3-8(12)2-9(13)4-10/h2-5,14H,6H2,1H3
InChIKeyWMIVJOKXEXTTOO-UHFFFAOYSA-N
MW285.12 g/mol
LogP3.50
Rot. Bonds3

About 3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline

3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline (PubChem CID 84587908) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
PubChem CID84587908
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCc1cnc(CNc2cc(F)cc(Br)c2)o1
InChIInChI=1S/C11H10BrFN2O/c1-7-5-15-11(16-7)6-14-10-3-8(12)2-9(13)4-10/h2-5,14H,6H2,1H3
InChIKeyWMIVJOKXEXTTOO-UHFFFAOYSA-N
XLogP3.50
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373954
1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275502
3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine
CID 106378568
5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107143525
3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine
CID 106369705
N-[(3-bromo-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893585
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline
CID 54882181
5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 131107697
3,5-difluoro-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106379001
3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline
CID 114181142
1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106370032
5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-oxazole
CID 148627248

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
The IUPAC name of 3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline (CID 84587908) is 3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
The canonical SMILES for 3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline is Cc1cnc(CNc2cc(F)cc(Br)c2)o1.
What is the InChIKey of 3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
The InChIKey is WMIVJOKXEXTTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-7-5-15-11(16-7)6-14-10-3-8(12)2-9(13)4-10/h2-5,14H,6H2,1H3.
What are the key properties of 3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline has a molecular weight of 285.12 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline is sourced from PubChem (CID 84587908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).