1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol

C13H9BrN2O2 — CID 136928596

IUPAC1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol
SMILESNc1cc(-c2c(O)ccc3cc(Br)ccc23)on1
InChIInChI=1S/C13H9BrN2O2/c14-8-2-3-9-7(5-8)1-4-10(17)13(9)11-6-12(15)16-18-11/h1-6,17H,(H2,15,16)
InChIKeyDBPHDARVNGRMPQ-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.55
Rot. Bonds1

About 1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol

1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol (PubChem CID 136928596) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol.

Molecular Properties

Compound Name1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol
PubChem CID136928596
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol
SMILESNc1cc(-c2c(O)ccc3cc(Br)ccc23)on1
InChIInChI=1S/C13H9BrN2O2/c14-8-2-3-9-7(5-8)1-4-10(17)13(9)11-6-12(15)16-18-11/h1-6,17H,(H2,15,16)
InChIKeyDBPHDARVNGRMPQ-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

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Related Compounds

1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol
CID 136952337
1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol
CID 117490329
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
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol
CID 136932435
1,6-dibromonaphthalen-2-ol;sulfur dioxide
CID 70231756
7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11189978
3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
CID 117302447
3-(3-amino-1,2-oxazol-5-yl)-5-bromo-4-fluorobenzene-1,2-diol
CID 136968361
6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101427403
2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395325
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine
CID 117420990

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol?
The IUPAC name of 1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol (CID 136928596) is 1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol.
What is the SMILES notation for 1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol?
The canonical SMILES for 1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol is Nc1cc(-c2c(O)ccc3cc(Br)ccc23)on1.
What is the InChIKey of 1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol?
The InChIKey is DBPHDARVNGRMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c14-8-2-3-9-7(5-8)1-4-10(17)13(9)11-6-12(15)16-18-11/h1-6,17H,(H2,15,16).
What are the key properties of 1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol?
1-(3-amino-1,2-oxazol-5-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-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol is sourced from PubChem (CID 136928596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).