5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline

C13H15BrN2O2 — CID 54968321

IUPAC5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1nc(C)c(C)o1
InChIInChI=1S/C13H15BrN2O2/c1-8-9(2)18-13(16-8)7-15-11-6-10(14)4-5-12(11)17-3/h4-6,15H,7H2,1-3H3
InChIKeyHKOCQHJMNQLULZ-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.67
Rot. Bonds4

About 5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline

5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline (PubChem CID 54968321) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline
PubChem CID54968321
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1nc(C)c(C)o1
InChIInChI=1S/C13H15BrN2O2/c1-8-9(2)18-13(16-8)7-15-11-6-10(14)4-5-12(11)17-3/h4-6,15H,7H2,1-3H3
InChIKeyHKOCQHJMNQLULZ-UHFFFAOYSA-N
XLogP3.67
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 55132827
4-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 60972696
methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate
CID 99824042
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 106369939
5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63456234
1-(3,5-dibromo-4-methoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673066
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
CID 64591606
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
CID 61060847
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61223553
2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489419
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline?
The IUPAC name of 5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline (CID 54968321) is 5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline is COc1ccc(Br)cc1NCc1nc(C)c(C)o1.
What is the InChIKey of 5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline?
The InChIKey is HKOCQHJMNQLULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8-9(2)18-13(16-8)7-15-11-6-10(14)4-5-12(11)17-3/h4-6,15H,7H2,1-3H3.
What are the key properties of 5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline?
5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline has a molecular weight of 311.18 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 54968321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).