2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline

C13H14Br2N2O — CID 54882260

IUPAC2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline
SMILESCc1cc(Br)c(NCc2nc(C)c(C)o2)c(Br)c1
InChIInChI=1S/C13H14Br2N2O/c1-7-4-10(14)13(11(15)5-7)16-6-12-17-8(2)9(3)18-12/h4-5,16H,6H2,1-3H3
InChIKeyNHIJPFOVMMQMOC-UHFFFAOYSA-N
MW374.08 g/mol
LogP4.74
Rot. Bonds3

About 2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline

2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline (PubChem CID 54882260) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is 2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline
PubChem CID54882260
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline
SMILESCc1cc(Br)c(NCc2nc(C)c(C)o2)c(Br)c1
InChIInChI=1S/C13H14Br2N2O/c1-7-4-10(14)13(11(15)5-7)16-6-12-17-8(2)9(3)18-12/h4-5,16H,6H2,1-3H3
InChIKeyNHIJPFOVMMQMOC-UHFFFAOYSA-N
XLogP4.74
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 60972696
3,5-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106374390
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 113254675
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline
CID 54882181
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 55132827
1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106370288
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 106374176
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline
CID 54882236
5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 65476221
5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline
CID 54968321
5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106378774
1-(3,5-dibromo-4-methoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673066

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline?
The IUPAC name of 2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline (CID 54882260) is 2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline.
What is the SMILES notation for 2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline?
The canonical SMILES for 2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline is Cc1cc(Br)c(NCc2nc(C)c(C)o2)c(Br)c1.
What is the InChIKey of 2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline?
The InChIKey is NHIJPFOVMMQMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c1-7-4-10(14)13(11(15)5-7)16-6-12-17-8(2)9(3)18-12/h4-5,16H,6H2,1-3H3.
What are the key properties of 2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline?
2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline has a molecular weight of 374.08 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline is sourced from PubChem (CID 54882260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).