2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine

C13H15BrN2O2 — CID 65182889

IUPAC2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2cc(OC)ccc2Br)o1
InChIInChI=1S/C13H15BrN2O2/c1-15-6-5-13-16-8-12(18-13)10-7-9(17-2)3-4-11(10)14/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyVQDUEDDFTQEJMW-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.87
Rot. Bonds5

About 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine

2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 65182889) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID65182889
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2cc(OC)ccc2Br)o1
InChIInChI=1S/C13H15BrN2O2/c1-15-6-5-13-16-8-12(18-13)10-7-9(17-2)3-4-11(10)14/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyVQDUEDDFTQEJMW-UHFFFAOYSA-N
XLogP2.87
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182601
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179787
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184310
3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 107941921
2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183441
5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179645
N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 102885570
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
2-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 55065618
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 106690346
1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114078190

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 65182889) is 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNCCc1ncc(-c2cc(OC)ccc2Br)o1.
What is the InChIKey of 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is VQDUEDDFTQEJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-15-6-5-13-16-8-12(18-13)10-7-9(17-2)3-4-11(10)14/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 311.18 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 65182889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).