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

C14H19BrN2O2 — CID 65185034

IUPACN-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1ncc(-c2ccc(Br)o2)o1
InChIInChI=1S/C14H19BrN2O2/c1-14(2,3)17-8-4-5-13-16-9-11(19-13)10-6-7-12(15)18-10/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyYOAHSZFIDZYZKI-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.02
Rot. Bonds5

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

N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine (PubChem CID 65185034) 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-2-amine.

Molecular Properties

Compound NameN-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
PubChem CID65185034
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-2-amine
SMILESCC(C)(C)NCCCc1ncc(-c2ccc(Br)o2)o1
InChIInChI=1S/C14H19BrN2O2/c1-14(2,3)17-8-4-5-13-16-9-11(19-13)10-6-7-12(15)18-10/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyYOAHSZFIDZYZKI-UHFFFAOYSA-N
XLogP4.02
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine 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-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine (CID 65185034) is N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCc1ncc(-c2ccc(Br)o2)o1.
What is the InChIKey of N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is YOAHSZFIDZYZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-14(2,3)17-8-4-5-13-16-9-11(19-13)10-6-7-12(15)18-10/h6-7,9,17H,4-5,8H2,1-3H3.
What are the key properties of N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 327.22 g/mol, XLogP of 4.02, 5 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-2-amine is sourced from PubChem (CID 65185034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).