2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine

C15H13BrN2O — CID 115354580

IUPAC2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(-c2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C15H13BrN2O/c16-13-4-3-10-7-12(2-1-11(10)8-13)14-9-18-15(19-14)5-6-17/h1-4,7-9H,5-6,17H2
InChIKeyYERHCWAURCSPEG-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.76
Rot. Bonds3

About 2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine

2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 115354580) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID115354580
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(-c2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C15H13BrN2O/c16-13-4-3-10-7-12(2-1-11(10)8-13)14-9-18-15(19-14)5-6-17/h1-4,7-9H,5-6,17H2
InChIKeyYERHCWAURCSPEG-UHFFFAOYSA-N
XLogP3.76
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine
CID 113292812
1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 115354582
2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179184
3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
CID 65179310
2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 95471843
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 65183258
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 95474315
3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 112742085
3-[5-(4-bromophenyl)-1,3-oxazol-2-yl]propanoyl fluoride
CID 162401622

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine (CID 115354580) is 2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine is NCCc1ncc(-c2ccc3cc(Br)ccc3c2)o1.
What is the InChIKey of 2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is YERHCWAURCSPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-13-4-3-10-7-12(2-1-11(10)8-13)14-9-18-15(19-14)5-6-17/h1-4,7-9H,5-6,17H2.
What are the key properties of 2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 317.19 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 115354580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).