(5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine

C10H11BrN2O — CID 82232643

IUPAC(5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
SMILESCc1c(Br)cc2nc(CN)oc2c1C
InChIInChI=1S/C10H11BrN2O/c1-5-6(2)10-8(3-7(5)11)13-9(4-12)14-10/h3H,4,12H2,1-2H3
InChIKeySMQPLHZRASZNIG-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.67
Rot. Bonds1

About (5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine

(5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine (PubChem CID 82232643) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is (5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
PubChem CID82232643
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name(5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
SMILESCc1c(Br)cc2nc(CN)oc2c1C
InChIInChI=1S/C10H11BrN2O/c1-5-6(2)10-8(3-7(5)11)13-9(4-12)14-10/h3H,4,12H2,1-2H3
InChIKeySMQPLHZRASZNIG-UHFFFAOYSA-N
XLogP2.67
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine 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-5-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82232637
(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 79001891
5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole
CID 21366171
(5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine
CID 130116175
2-(3,5-dibromo-4-methylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 50880214
(7-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229700
5,7-dibromo-2-(3,5-dimethylphenyl)-1,3-benzoxazol-6-amine
CID 95911077
4-[(7-bromo-5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]aniline
CID 54858900
2-[(5-amino-7-methyl-1,3-benzoxazol-2-yl)methyl]-7-methyl-1,3-benzoxazol-5-amine
CID 91675154
(5-chloro-7-nitro-1,3-benzoxazol-2-yl)methanamine
CID 137332751
7-bromo-2-ethyl-5-propyl-1,3-benzoxazole
CID 82233377
7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole
CID 82233973

Frequently Asked Questions

What is the IUPAC name of (5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine?
The IUPAC name of (5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine (CID 82232643) is (5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine.
What is the SMILES notation for (5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine?
The canonical SMILES for (5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine is Cc1c(Br)cc2nc(CN)oc2c1C.
What is the InChIKey of (5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine?
The InChIKey is SMQPLHZRASZNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-5-6(2)10-8(3-7(5)11)13-9(4-12)14-10/h3H,4,12H2,1-2H3.
What are the key properties of (5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine?
(5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine has a molecular weight of 255.11 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine is sourced from PubChem (CID 82232643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).