1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine

C10H11BrN2O — CID 82463467

IUPAC1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine
SMILESCc1cc(Br)cc2nc(C(C)N)oc12
InChIInChI=1S/C10H11BrN2O/c1-5-3-7(11)4-8-9(5)14-10(13-8)6(2)12/h3-4,6H,12H2,1-2H3
InChIKeyZZJKTMCKSGZHBC-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.92
Rot. Bonds1

About 1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine

1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine (PubChem CID 82463467) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is 1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine
PubChem CID82463467
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine
SMILESCc1cc(Br)cc2nc(C(C)N)oc12
InChIInChI=1S/C10H11BrN2O/c1-5-3-7(11)4-8-9(5)14-10(13-8)6(2)12/h3-4,6H,12H2,1-2H3
InChIKeyZZJKTMCKSGZHBC-UHFFFAOYSA-N
XLogP2.92
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-propan-2-yl-1,3-benzoxazole-7-carbaldehyde
CID 83902756
6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 82230256
3-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)propanoic acid
CID 82233736
1-(5-bromo-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65438311
5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728890
3-(4-bromo-2,6-dimethylphenyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 13237467
(1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine
CID 82417180
5-bromo-2-(2-methylbutyl)-1,3-benzoxazol-7-amine
CID 114874873
(5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine
CID 115962603
5-bromo-2-(2-bromo-3-methylphenyl)-1,3-benzoxazol-7-amine
CID 107982320
7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole
CID 82095523
5-bromo-2-methyl-1,3-benzoxazol-7-ol
CID 125494330

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine?
The IUPAC name of 1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine (CID 82463467) is 1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine is Cc1cc(Br)cc2nc(C(C)N)oc12.
What is the InChIKey of 1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine?
The InChIKey is ZZJKTMCKSGZHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-5-3-7(11)4-8-9(5)14-10(13-8)6(2)12/h3-4,6H,12H2,1-2H3.
What are the key properties of 1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine?
1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine has a molecular weight of 255.12 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine is sourced from PubChem (CID 82463467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).