3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine

C11H13BrN2O2 — CID 115086574

IUPAC3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1cnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C11H13BrN2O2/c1-13-6-2-3-8-7-14-11(15-8)9-4-5-10(12)16-9/h4-5,7,13H,2-3,6H2,1H3
InChIKeyWEMUEKIYZNBBBP-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.85
Rot. Bonds5

About 3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine

3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine (PubChem CID 115086574) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine
PubChem CID115086574
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1cnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C11H13BrN2O2/c1-13-6-2-3-8-7-14-11(15-8)9-4-5-10(12)16-9/h4-5,7,13H,2-3,6H2,1H3
InChIKeyWEMUEKIYZNBBBP-UHFFFAOYSA-N
XLogP2.85
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
CID 137003028
2-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
CID 137003013
N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115087182
2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089119
N-methyl-3-[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115087589
2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol
CID 115086866
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 65185034
N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086973
N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085482
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184690
N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085315
3-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 106689598

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine (CID 115086574) is 3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine is CNCCCc1cnc(-c2ccc(Br)o2)o1.
What is the InChIKey of 3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine?
The InChIKey is WEMUEKIYZNBBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-13-6-2-3-8-7-14-11(15-8)9-4-5-10(12)16-9/h4-5,7,13H,2-3,6H2,1H3.
What are the key properties of 3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine?
3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine has a molecular weight of 285.14 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 115086574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).