3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline

C14H11BrN2O — CID 142897927

IUPAC3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
SMILESCNc1cccc(-c2nc3cc(Br)ccc3o2)c1
InChIInChI=1S/C14H11BrN2O/c1-16-11-4-2-3-9(7-11)14-17-12-8-10(15)5-6-13(12)18-14/h2-8,16H,1H3
InChIKeyFFAIBKUOJJPDPD-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.30
Rot. Bonds2

About 3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline

3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline (PubChem CID 142897927) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
PubChem CID142897927
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
SMILESCNc1cccc(-c2nc3cc(Br)ccc3o2)c1
InChIInChI=1S/C14H11BrN2O/c1-16-11-4-2-3-9(7-11)14-17-12-8-10(15)5-6-13(12)18-14/h2-8,16H,1H3
InChIKeyFFAIBKUOJJPDPD-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

5-bromo-2-(3-tert-butylphenyl)-1,3-benzoxazole
CID 172609477
2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91676646
5-bromo-2-(3-nitrophenyl)-1,3-benzoxazole
CID 177345342
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2,2-dimethylpropanamide
CID 29244185
methyl 2-(3-bromophenyl)-1,3-benzoxazole-5-carboxylate
CID 91682443
5-(5-bromo-1,3-benzoxazol-2-yl)benzene-1,3-diamine
CID 114003786
2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91682504
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
CID 91677714
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trichloroacetamide
CID 1348510
2-(4-bromophenoxy)-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17274584
5-bromo-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23989159

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline?
The IUPAC name of 3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline (CID 142897927) is 3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline.
What is the SMILES notation for 3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline?
The canonical SMILES for 3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline is CNc1cccc(-c2nc3cc(Br)ccc3o2)c1.
What is the InChIKey of 3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline?
The InChIKey is FFAIBKUOJJPDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-16-11-4-2-3-9(7-11)14-17-12-8-10(15)5-6-13(12)18-14/h2-8,16H,1H3.
What are the key properties of 3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline?
3-(5-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 3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline is sourced from PubChem (CID 142897927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).