2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline

C10H7BrClFN2O — CID 107610757

IUPAC2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2cnco2)c(Br)c1
InChIInChI=1S/C10H7BrClFN2O/c11-8-1-6(13)2-9(12)10(8)15-4-7-3-14-5-16-7/h1-3,5,15H,4H2
InChIKeyZBISQBACAWHPDL-UHFFFAOYSA-N
MW305.53 g/mol
LogP3.84
Rot. Bonds3

About 2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline

2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline (PubChem CID 107610757) has the molecular formula C10H7BrClFN2O and a molecular weight of 305.53 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline
PubChem CID107610757
Molecular FormulaC10H7BrClFN2O
Molecular Weight305.53 g/mol
Exact Mass303.94
IUPAC Name2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2cnco2)c(Br)c1
InChIInChI=1S/C10H7BrClFN2O/c11-8-1-6(13)2-9(12)10(8)15-4-7-3-14-5-16-7/h1-3,5,15H,4H2
InChIKeyZBISQBACAWHPDL-UHFFFAOYSA-N
XLogP3.84
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048
5-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 107613488
2-bromo-6-chloro-4-fluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107610737
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
2-bromo-6-chloro-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 107610451
2-bromo-N-[(3-bromothiophen-2-yl)methyl]-6-chloro-4-fluoroaniline
CID 107610481
2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 107610436
2-bromo-6-chloro-4-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 91660875
2-bromo-6-chloro-4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107610276
2-bromo-6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]phenol
CID 107610553
2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 107610370
5-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 107611541

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline?
The IUPAC name of 2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline (CID 107610757) is 2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline?
The canonical SMILES for 2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline is Fc1cc(Cl)c(NCc2cnco2)c(Br)c1.
What is the InChIKey of 2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline?
The InChIKey is ZBISQBACAWHPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN2O/c11-8-1-6(13)2-9(12)10(8)15-4-7-3-14-5-16-7/h1-3,5,15H,4H2.
What are the key properties of 2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline?
2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline has a molecular weight of 305.53 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline is sourced from PubChem (CID 107610757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).