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

C9H8Br2N2O2 — CID 81171216

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESBrc1cc(CNCc2ccon2)oc1Br
InChIInChI=1S/C9H8Br2N2O2/c10-8-3-7(15-9(8)11)5-12-4-6-1-2-14-13-6/h1-3,12H,4-5H2
InChIKeyRHECKHLMLDNGLU-UHFFFAOYSA-N
MW335.98 g/mol
LogP3.08
Rot. Bonds4

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

N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 81171216) has the molecular formula C9H8Br2N2O2 and a molecular weight of 335.98 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
PubChem CID81171216
Molecular FormulaC9H8Br2N2O2
Molecular Weight335.98 g/mol
Exact Mass333.90
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESBrc1cc(CNCc2ccon2)oc1Br
InChIInChI=1S/C9H8Br2N2O2/c10-8-3-7(15-9(8)11)5-12-4-6-1-2-14-13-6/h1-3,12H,4-5H2
InChIKeyRHECKHLMLDNGLU-UHFFFAOYSA-N
XLogP3.08
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.98
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(1,2-oxazol-3-ylmethylamino)methyl]furan-2-yl]methanol
CID 79496028
1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79496120
N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine
CID 63982243
N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 115876673
1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106370288
1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79493496
1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79495143
4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline
CID 62085887
2-[(4,5-dibromofuran-2-yl)methylamino]acetamide
CID 62083921
N-(1,2-oxazol-3-ylmethyl)-1-pyridin-3-ylmethanamine
CID 79496321
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81170570
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79495823

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (CID 81171216) is N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is Brc1cc(CNCc2ccon2)oc1Br.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is RHECKHLMLDNGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2O2/c10-8-3-7(15-9(8)11)5-12-4-6-1-2-14-13-6/h1-3,12H,4-5H2.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 335.98 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 81171216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).