1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

C14H16Br2N2O2 — CID 103275317

IUPAC1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2cc(Br)cc(Br)c2OC)o1
InChIInChI=1S/C14H16Br2N2O2/c1-3-11-7-18-13(20-11)8-17-6-9-4-10(15)5-12(16)14(9)19-2/h4-5,7,17H,3,6,8H2,1-2H3
InChIKeyOTFWUTGALIMKCF-UHFFFAOYSA-N
MW404.10 g/mol
LogP4.06
Rot. Bonds6

About 1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103275317) has the molecular formula C14H16Br2N2O2 and a molecular weight of 404.10 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103275317
Molecular FormulaC14H16Br2N2O2
Molecular Weight404.10 g/mol
Exact Mass401.96
IUPAC Name1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2cc(Br)cc(Br)c2OC)o1
InChIInChI=1S/C14H16Br2N2O2/c1-3-11-7-18-13(20-11)8-17-6-9-4-10(15)5-12(16)14(9)19-2/h4-5,7,17H,3,6,8H2,1-2H3
InChIKeyOTFWUTGALIMKCF-UHFFFAOYSA-N
XLogP4.06
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.10
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103738789
1-(3,5-dibromo-2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275664
1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275113
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 104889459
1-(4-bromothiophen-2-yl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 47271899
1-(4-bromo-3-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275273
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4715898
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-methoxy-5-nitrophenyl)methanamine
CID 106371637
1-(3,5-dibromo-2-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305426
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine
CID 115405637
[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 107230240

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103275317) is 1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is CCc1cnc(CNCc2cc(Br)cc(Br)c2OC)o1.
What is the InChIKey of 1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is OTFWUTGALIMKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O2/c1-3-11-7-18-13(20-11)8-17-6-9-4-10(15)5-12(16)14(9)19-2/h4-5,7,17H,3,6,8H2,1-2H3.
What are the key properties of 1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 404.10 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103275317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).