2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol

C10H11BrN2O2 — CID 83903514

IUPAC2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol
SMILESCc1nc2cc(Br)c(C(O)CN)cc2o1
InChIInChI=1S/C10H11BrN2O2/c1-5-13-8-3-7(11)6(9(14)4-12)2-10(8)15-5/h2-3,9,14H,4,12H2,1H3
InChIKeyHAJVMHCEWUUYPA-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.89
Rot. Bonds2

About 2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol

2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol (PubChem CID 83903514) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol
PubChem CID83903514
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol
SMILESCc1nc2cc(Br)c(C(O)CN)cc2o1
InChIInChI=1S/C10H11BrN2O2/c1-5-13-8-3-7(11)6(9(14)4-12)2-10(8)15-5/h2-3,9,14H,4,12H2,1H3
InChIKeyHAJVMHCEWUUYPA-UHFFFAOYSA-N
XLogP1.89
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol 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

2-amino-2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)ethanol
CID 83892730
2-bromo-1-(2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 116863243
2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 22021331
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
4-amino-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881491
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol
CID 83904080
N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 115271704
3-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 116934225
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine
CID 116835654

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol?
The IUPAC name of 2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol (CID 83903514) is 2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol.
What is the SMILES notation for 2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol?
The canonical SMILES for 2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol is Cc1nc2cc(Br)c(C(O)CN)cc2o1.
What is the InChIKey of 2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol?
The InChIKey is HAJVMHCEWUUYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-5-13-8-3-7(11)6(9(14)4-12)2-10(8)15-5/h2-3,9,14H,4,12H2,1H3.
What are the key properties of 2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol?
2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol has a molecular weight of 271.11 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol is sourced from PubChem (CID 83903514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).