4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine

C13H8Br2N2O — CID 113292820

IUPAC4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc3cc(Br)ccc3c2)c1Br
InChIInChI=1S/C13H8Br2N2O/c14-10-4-3-7-5-9(2-1-8(7)6-10)12-11(15)13(16)17-18-12/h1-6H,(H2,16,17)
InChIKeySSEUINGLEPYAKV-UHFFFAOYSA-N
MW368.03 g/mol
LogP4.60
Rot. Bonds1

About 4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine

4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine (PubChem CID 113292820) has the molecular formula C13H8Br2N2O and a molecular weight of 368.03 g/mol. Its IUPAC name is 4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine
PubChem CID113292820
Molecular FormulaC13H8Br2N2O
Molecular Weight368.03 g/mol
Exact Mass365.90
IUPAC Name4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc3cc(Br)ccc3c2)c1Br
InChIInChI=1S/C13H8Br2N2O/c14-10-4-3-7-5-9(2-1-8(7)6-10)12-11(15)13(16)17-18-12/h1-6H,(H2,16,17)
InChIKeySSEUINGLEPYAKV-UHFFFAOYSA-N
XLogP4.60
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.03
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine
CID 79556113
4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 79556620
4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 79555953
4-bromo-5-(3,4-diethoxyphenyl)-1,2-oxazol-3-amine
CID 79556122
4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79557110
4-bromo-5-(4-nitrophenyl)-1,2-oxazol-3-amine
CID 79555607
[5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 123178484
3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 115354111
5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556783
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
2,6-dibromonaphthalene
CID 640591
4-ethyl-5-naphthalen-2-yl-1,2-oxazol-3-amine
CID 66200437

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine (CID 113292820) is 4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc3cc(Br)ccc3c2)c1Br.
What is the InChIKey of 4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is SSEUINGLEPYAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O/c14-10-4-3-7-5-9(2-1-8(7)6-10)12-11(15)13(16)17-18-12/h1-6H,(H2,16,17).
What are the key properties of 4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine?
4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine has a molecular weight of 368.03 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 113292820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).