2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline

C14H11BrN2O — CID 81496027

IUPAC2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
SMILESCNc1ccccc1-c1nc2cccc(Br)c2o1
InChIInChI=1S/C14H11BrN2O/c1-16-11-7-3-2-5-9(11)14-17-12-8-4-6-10(15)13(12)18-14/h2-8,16H,1H3
InChIKeyWNSXFCUHNWPZON-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.30
Rot. Bonds2

About 2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline

2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline (PubChem CID 81496027) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
PubChem CID81496027
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
SMILESCNc1ccccc1-c1nc2cccc(Br)c2o1
InChIInChI=1S/C14H11BrN2O/c1-16-11-7-3-2-5-9(11)14-17-12-8-4-6-10(15)13(12)18-14/h2-8,16H,1H3
InChIKeyWNSXFCUHNWPZON-UHFFFAOYSA-N
XLogP4.30
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline
CID 81433113
3-(7-bromo-1,3-benzoxazol-2-yl)naphthalen-2-amine
CID 81496235
7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
CID 82233864
4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol
CID 135415997
3-(7-bromo-1,3-benzoxazol-2-yl)-4-fluoroaniline
CID 81496256
3-(7-bromo-1,3-benzoxazol-2-yl)aniline
CID 79017519
7-bromo-2-fluoro-1,3-benzoxazole
CID 131072299
2-(7-bromo-1,3-benzoxazol-2-yl)-5-(trifluoromethyl)aniline
CID 81494729
7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 51983742
2-(2-methylphenyl)-1,3-benzoxazol-7-ol
CID 84689691
7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole
CID 95910719
2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine
CID 81494751

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline?
The IUPAC name of 2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline (CID 81496027) is 2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline.
What is the SMILES notation for 2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline?
The canonical SMILES for 2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline is CNc1ccccc1-c1nc2cccc(Br)c2o1.
What is the InChIKey of 2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline?
The InChIKey is WNSXFCUHNWPZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-16-11-7-3-2-5-9(11)14-17-12-8-4-6-10(15)13(12)18-14/h2-8,16H,1H3.
What are the key properties of 2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline?
2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline has a molecular weight of 303.16 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline is sourced from PubChem (CID 81496027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).