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

C16H15BrN2O2 — CID 56672843

IUPACN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2coc(-c3ccccc3Br)n2)o1
InChIInChI=1S/C16H15BrN2O2/c1-11-6-7-13(21-11)9-18-8-12-10-20-16(19-12)14-4-2-3-5-15(14)17/h2-7,10,18H,8-9H2,1H3
InChIKeyKTEKZLWSGUEAJA-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.30
Rot. Bonds5

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

N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine (PubChem CID 56672843) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
PubChem CID56672843
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2coc(-c3ccccc3Br)n2)o1
InChIInChI=1S/C16H15BrN2O2/c1-11-6-7-13(21-11)9-18-8-12-10-20-16(19-12)14-4-2-3-5-15(14)17/h2-7,10,18H,8-9H2,1H3
InChIKeyKTEKZLWSGUEAJA-UHFFFAOYSA-N
XLogP4.30
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine (CID 56672843) is N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine is Cc1ccc(CNCc2coc(-c3ccccc3Br)n2)o1.
What is the InChIKey of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is KTEKZLWSGUEAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-11-6-7-13(21-11)9-18-8-12-10-20-16(19-12)14-4-2-3-5-15(14)17/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 347.21 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 56672843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).