1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine

C14H16Br2N2O — CID 106368846

IUPAC1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCCc1cnc(CNC(C)c2ccc(Br)cc2Br)o1
InChIInChI=1S/C14H16Br2N2O/c1-3-11-7-18-14(19-11)8-17-9(2)12-5-4-10(15)6-13(12)16/h4-7,9,17H,3,8H2,1-2H3
InChIKeyPYCXSMZFIAGQBS-UHFFFAOYSA-N
MW388.10 g/mol
LogP4.61
Rot. Bonds5

About 1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine

1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 106368846) has the molecular formula C14H16Br2N2O and a molecular weight of 388.10 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID106368846
Molecular FormulaC14H16Br2N2O
Molecular Weight388.10 g/mol
Exact Mass385.96
IUPAC Name1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCCc1cnc(CNC(C)c2ccc(Br)cc2Br)o1
InChIInChI=1S/C14H16Br2N2O/c1-3-11-7-18-14(19-11)8-17-9(2)12-5-4-10(15)6-13(12)16/h4-7,9,17H,3,8H2,1-2H3
InChIKeyPYCXSMZFIAGQBS-UHFFFAOYSA-N
XLogP4.61
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-phenylcyclopropan-1-amine
CID 53588214
(1S)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97334742
3-bromo-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-[(dimethylamino)methyl]aniline
CID 132396394
N-[1-(4-bromo-3-methylphenyl)-2-methylpropan-2-yl]-2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetamide
CID 137978797
4-bromo-2,5-dimethyl-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 164631833
1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 75443607
(1R)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97334741
5-Bromo-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-YL)methyl]aniline
CID 99831894
1-(2-fluorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-2-amine
CID 102672932
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 103096708
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 103096716
1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275102

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 106368846) is 1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine is CCc1cnc(CNC(C)c2ccc(Br)cc2Br)o1.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is PYCXSMZFIAGQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O/c1-3-11-7-18-14(19-11)8-17-9(2)12-5-4-10(15)6-13(12)16/h4-7,9,17H,3,8H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 388.10 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 106368846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).