2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine

C9H9BrN2O — CID 83382789

IUPAC2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine
SMILESCN(C)c1ccc2nc(Br)oc2c1
InChIInChI=1S/C9H9BrN2O/c1-12(2)6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,1-2H3
InChIKeyWZPVFAKBCDODIS-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.66
Rot. Bonds1

About 2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine

2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine (PubChem CID 83382789) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine
PubChem CID83382789
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine
SMILESCN(C)c1ccc2nc(Br)oc2c1
InChIInChI=1S/C9H9BrN2O/c1-12(2)6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,1-2H3
InChIKeyWZPVFAKBCDODIS-UHFFFAOYSA-N
XLogP2.66
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-7-(dimethylamino)-1,4-benzoxazin-2-one
CID 14794620
zinc;[7-(dimethylamino)phenoxazin-3-ylidene]-dimethylazanium;trichloride
CID 56841855
chloromethane;[7-(dimethylamino)phenoxazin-3-ylidene]-dimethylazanium
CID 143958527
2-bromo-1,3-benzoxazole-6-carbaldehyde
CID 119010083
[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]methanethiol
CID 115227813
5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine
CID 6858061
2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol
CID 69474101
2-bromo-5-methoxy-1,3-benzoxazole
CID 83382782
6-N,6-N-dimethylquinoxaline-2,6-diamine
CID 119094969
2-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]acetonitrile
CID 115130898
3-[2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-7-(dimethylamino)-1,4-benzoxazin-2-one
CID 167387482
2-bromo-N-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 166505833

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine?
The IUPAC name of 2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine (CID 83382789) is 2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine is CN(C)c1ccc2nc(Br)oc2c1.
What is the InChIKey of 2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine?
The InChIKey is WZPVFAKBCDODIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12(2)6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,1-2H3.
What are the key properties of 2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine?
2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine has a molecular weight of 241.09 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 83382789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).