1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol

C13H9BrN2O2 — CID 117490329

IUPAC1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol
SMILESNc1oncc1-c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C13H9BrN2O2/c14-8-2-3-9-7(5-8)1-4-11(17)12(9)10-6-16-18-13(10)15/h1-6,17H,15H2
InChIKeyBQNGQIAUPFWSID-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.55
Rot. Bonds1

About 1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol

1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol (PubChem CID 117490329) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol.

Molecular Properties

Compound Name1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol
PubChem CID117490329
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol
SMILESNc1oncc1-c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C13H9BrN2O2/c14-8-2-3-9-7(5-8)1-4-11(17)12(9)10-6-16-18-13(10)15/h1-6,17H,15H2
InChIKeyBQNGQIAUPFWSID-UHFFFAOYSA-N
XLogP3.55
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-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-1,2-oxazol-4-yl)-4-bromophenol
CID 117390307
1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol
CID 136928596
6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 158239097
4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
CID 83548488
3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol
CID 117353908
1,6-dibromonaphthalen-2-ol;sulfur dioxide
CID 70231756
7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11189978
6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol
CID 177395737
8-(5-amino-1,2-oxazol-4-yl)furo[2,3-f][1]benzofuran-4-ol
CID 117393438
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol
CID 117292479
6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol
CID 117308042

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol?
The IUPAC name of 1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol (CID 117490329) is 1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol.
What is the SMILES notation for 1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol?
The canonical SMILES for 1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol is Nc1oncc1-c1c(O)ccc2cc(Br)ccc12.
What is the InChIKey of 1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol?
The InChIKey is BQNGQIAUPFWSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c14-8-2-3-9-7(5-8)1-4-11(17)12(9)10-6-16-18-13(10)15/h1-6,17H,15H2.
What are the key properties of 1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol?
1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol has a molecular weight of 305.13 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol is sourced from PubChem (CID 117490329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).