1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

C11H12Br2N2O2 — CID 106370288

IUPAC1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2cc(Br)c(Br)o2)oc1C
InChIInChI=1S/C11H12Br2N2O2/c1-6-7(2)16-10(15-6)5-14-4-8-3-9(12)11(13)17-8/h3,14H,4-5H2,1-2H3
InChIKeyKWJUCPHRVZRJDB-UHFFFAOYSA-N
MW364.04 g/mol
LogP3.70
Rot. Bonds4

About 1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 106370288) has the molecular formula C11H12Br2N2O2 and a molecular weight of 364.04 g/mol. Its IUPAC name is 1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID106370288
Molecular FormulaC11H12Br2N2O2
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2cc(Br)c(Br)o2)oc1C
InChIInChI=1S/C11H12Br2N2O2/c1-6-7(2)16-10(15-6)5-14-4-8-3-9(12)11(13)17-8/h3,14H,4-5H2,1-2H3
InChIKeyKWJUCPHRVZRJDB-UHFFFAOYSA-N
XLogP3.70
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.04
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

1-(3,5-dibromo-4-methoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673066
5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 106370676
1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103820215
2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline
CID 54882260
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,5-dimethylpyrazol-3-yl)methanamine
CID 114180444
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 62308041
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 60972826
4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol
CID 106370332
2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine
CID 106370731
4-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 60972696
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,3,6-trichlorophenyl)methanamine
CID 102673162
N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100599

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 106370288) is 1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1nc(CNCc2cc(Br)c(Br)o2)oc1C.
What is the InChIKey of 1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is KWJUCPHRVZRJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O2/c1-6-7(2)16-10(15-6)5-14-4-8-3-9(12)11(13)17-8/h3,14H,4-5H2,1-2H3.
What are the key properties of 1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 364.04 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 106370288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).