3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine

C15H18BrFN2O — CID 114561201

IUPAC3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ncc(-c2c(F)cccc2Br)o1
InChIInChI=1S/C15H18BrFN2O/c1-10(2)18-8-4-7-14-19-9-13(20-14)15-11(16)5-3-6-12(15)17/h3,5-6,9-10,18H,4,7-8H2,1-2H3
InChIKeyVRWOSKHVVNENLQ-UHFFFAOYSA-N
MW341.22 g/mol
LogP4.17
Rot. Bonds6

About 3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine

3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 114561201) has the molecular formula C15H18BrFN2O and a molecular weight of 341.22 g/mol. Its IUPAC name is 3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID114561201
Molecular FormulaC15H18BrFN2O
Molecular Weight341.22 g/mol
Exact Mass340.06
IUPAC Name3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ncc(-c2c(F)cccc2Br)o1
InChIInChI=1S/C15H18BrFN2O/c1-10(2)18-8-4-7-14-19-9-13(20-14)15-11(16)5-3-6-12(15)17/h3,5-6,9-10,18H,4,7-8H2,1-2H3
InChIKeyVRWOSKHVVNENLQ-UHFFFAOYSA-N
XLogP4.17
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187082
3-[5-(2,3-difluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65186886
N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186937
N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186839
3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81307023
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184898
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 82891430
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187513
N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187135
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 102885582
1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 114561189
3-[5-(4-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187377

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 114561201) is 3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1ncc(-c2c(F)cccc2Br)o1.
What is the InChIKey of 3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is VRWOSKHVVNENLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O/c1-10(2)18-8-4-7-14-19-9-13(20-14)15-11(16)5-3-6-12(15)17/h3,5-6,9-10,18H,4,7-8H2,1-2H3.
What are the key properties of 3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 341.22 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 114561201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).