7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine

C12H15BrN2O — CID 82233713

IUPAC7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine
SMILESCNc1nc2cc(CC(C)C)cc(Br)c2o1
InChIInChI=1S/C12H15BrN2O/c1-7(2)4-8-5-9(13)11-10(6-8)15-12(14-3)16-11/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyLOJLTTQWUGZIKE-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.83
Rot. Bonds3

About 7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine

7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine (PubChem CID 82233713) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine
PubChem CID82233713
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine
SMILESCNc1nc2cc(CC(C)C)cc(Br)c2o1
InChIInChI=1S/C12H15BrN2O/c1-7(2)4-8-5-9(13)11-10(6-8)15-12(14-3)16-11/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyLOJLTTQWUGZIKE-UHFFFAOYSA-N
XLogP3.83
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 82233441
1-[7-bromo-2-(methylamino)-1,3-benzoxazol-5-yl]ethanone
CID 82233431
5-bromo-7-chloro-N-methyl-1,3-benzoxazol-2-amine
CID 82233114
4-bromo-2-(2-methylpropyl)dibenzofuran
CID 166913108
1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 82233706
(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82232637
7-bromo-2-ethyl-5-propyl-1,3-benzoxazole
CID 82233377
2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine
CID 82232976
7-bromo-5-butyl-2-methyl-1,3-benzoxazole
CID 82233379
2-benzhydryl-7-bromo-5-ethyl-1,3-benzoxazole
CID 91673766
1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene
CID 20811639
7-bromo-2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1,3-benzoxazole
CID 95910570

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine (CID 82233713) is 7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine is CNc1nc2cc(CC(C)C)cc(Br)c2o1.
What is the InChIKey of 7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine?
The InChIKey is LOJLTTQWUGZIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-7(2)4-8-5-9(13)11-10(6-8)15-12(14-3)16-11/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine?
7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine has a molecular weight of 283.17 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 82233713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).