1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol

C13H13BrN2O2 — CID 117493917

IUPAC1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNc1oncc1-c1c(O)c(Br)cc2c1CCCC2
InChIInChI=1S/C13H13BrN2O2/c14-10-5-7-3-1-2-4-8(7)11(12(10)17)9-6-16-18-13(9)15/h5-6,17H,1-4,15H2
InChIKeyMUUHPAWTEAUGLW-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.27
Rot. Bonds1

About 1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol

1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117493917) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117493917
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNc1oncc1-c1c(O)c(Br)cc2c1CCCC2
InChIInChI=1S/C13H13BrN2O2/c14-10-5-7-3-1-2-4-8(7)11(12(10)17)9-6-16-18-13(9)15/h5-6,17H,1-4,15H2
InChIKeyMUUHPAWTEAUGLW-UHFFFAOYSA-N
XLogP3.27
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117447052
5-(2-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 136998296
6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol
CID 117308042
4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117332534
4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine
CID 117336149
3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58193775
4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458759
2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol
CID 117292479
4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol
CID 117482805
3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 117383063
2-bromo-4-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 84712986
2-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-oxoacetic acid
CID 117481511

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117493917) is 1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol is Nc1oncc1-c1c(O)c(Br)cc2c1CCCC2.
What is the InChIKey of 1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is MUUHPAWTEAUGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-10-5-7-3-1-2-4-8(7)11(12(10)17)9-6-16-18-13(9)15/h5-6,17H,1-4,15H2.
What are the key properties of 1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol?
1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 309.16 g/mol, XLogP of 3.27, 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)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117493917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).