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

C14H19BrN2O2 — CID 65184690

IUPACN-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ncc(-c2ccc(Br)o2)o1
InChIInChI=1S/C14H19BrN2O2/c1-10(2)8-16-7-3-4-14-17-9-12(19-14)11-5-6-13(15)18-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyLUDYSEWBVYTJBQ-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.88
Rot. Bonds7

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

N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine (PubChem CID 65184690) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
PubChem CID65184690
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ncc(-c2ccc(Br)o2)o1
InChIInChI=1S/C14H19BrN2O2/c1-10(2)8-16-7-3-4-14-17-9-12(19-14)11-5-6-13(15)18-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyLUDYSEWBVYTJBQ-UHFFFAOYSA-N
XLogP3.88
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.88
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine (CID 65184690) is N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine is CC(C)CNCCCc1ncc(-c2ccc(Br)o2)o1.
What is the InChIKey of N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is LUDYSEWBVYTJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10(2)8-16-7-3-4-14-17-9-12(19-14)11-5-6-13(15)18-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 327.22 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65184690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).