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

C14H11BrN2O — CID 113292812

IUPAC[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(-c2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C14H11BrN2O/c15-12-4-3-9-5-11(2-1-10(9)6-12)13-8-17-14(7-16)18-13/h1-6,8H,7,16H2
InChIKeyABIPORNRQQWWRH-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.72
Rot. Bonds2

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

[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine (PubChem CID 113292812) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is [5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine
PubChem CID113292812
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(-c2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C14H11BrN2O/c15-12-4-3-9-5-11(2-1-10(9)6-12)13-8-17-14(7-16)18-13/h1-6,8H,7,16H2
InChIKeyABIPORNRQQWWRH-UHFFFAOYSA-N
XLogP3.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 115354580
1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 115354582
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
CID 65179310
[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179378
[5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179555
[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 82298313
2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179184
[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179787
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 2-amino-5-bromobenzoate
CID 16592037
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 111487788
[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360063

Frequently Asked Questions

What is the IUPAC name of [5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine (CID 113292812) is [5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine is NCc1ncc(-c2ccc3cc(Br)ccc3c2)o1.
What is the InChIKey of [5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is ABIPORNRQQWWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-12-4-3-9-5-11(2-1-10(9)6-12)13-8-17-14(7-16)18-13/h1-6,8H,7,16H2.
What are the key properties of [5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine?
[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 303.16 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 113292812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).