6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol

C12H11BrN2O2 — CID 137003431

IUPAC6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol
SMILESNc1cc(-c2cc3c(c(Br)c2O)CCC3)on1
InChIInChI=1S/C12H11BrN2O2/c13-11-7-3-1-2-6(7)4-8(12(11)16)9-5-10(14)15-17-9/h4-5,16H,1-3H2,(H2,14,15)
InChIKeyLYQNDPCHTCGGKA-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.88
Rot. Bonds1

About 6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol

6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol (PubChem CID 137003431) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol
PubChem CID137003431
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol
SMILESNc1cc(-c2cc3c(c(Br)c2O)CCC3)on1
InChIInChI=1S/C12H11BrN2O2/c13-11-7-3-1-2-6(7)4-8(12(11)16)9-5-10(14)15-17-9/h4-5,16H,1-3H2,(H2,14,15)
InChIKeyLYQNDPCHTCGGKA-UHFFFAOYSA-N
XLogP2.88
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol 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-(5-amino-1-methylpyrazol-3-yl)-4-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 136998201
6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol
CID 137013109
5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine
CID 117305645
3-(4-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136998292
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol
CID 136928675
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol
CID 136931071
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol
CID 136995139
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol
CID 171560787
2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol
CID 136993780
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol
CID 136986604
3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol
CID 117454901
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol (CID 137003431) is 6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol is Nc1cc(-c2cc3c(c(Br)c2O)CCC3)on1.
What is the InChIKey of 6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol?
The InChIKey is LYQNDPCHTCGGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-11-7-3-1-2-6(7)4-8(12(11)16)9-5-10(14)15-17-9/h4-5,16H,1-3H2,(H2,14,15).
What are the key properties of 6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol?
6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol has a molecular weight of 295.14 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 137003431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).