N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine

C10H11BrN2O2 — CID 65178671

IUPACN-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2ccc(Br)o2)o1
InChIInChI=1S/C10H11BrN2O2/c1-2-12-6-10-13-5-8(15-10)7-3-4-9(11)14-7/h3-5,12H,2,6H2,1H3
InChIKeyXSUSVGHIPCSLHF-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.81
Rot. Bonds4

About N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine

N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 65178671) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID65178671
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC NameN-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2ccc(Br)o2)o1
InChIInChI=1S/C10H11BrN2O2/c1-2-12-6-10-13-5-8(15-10)7-3-4-9(11)14-7/h3-5,12H,2,6H2,1H3
InChIKeyXSUSVGHIPCSLHF-UHFFFAOYSA-N
XLogP2.81
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 65178671) is N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2ccc(Br)o2)o1.
What is the InChIKey of N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is XSUSVGHIPCSLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-2-12-6-10-13-5-8(15-10)7-3-4-9(11)14-7/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 271.11 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 65178671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).