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

C16H20BrFN2O — CID 65184536

IUPACN-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ncc(-c2cc(F)cc(Br)c2)o1
InChIInChI=1S/C16H20BrFN2O/c1-11(2)9-19-5-3-4-16-20-10-15(21-16)12-6-13(17)8-14(18)7-12/h6-8,10-11,19H,3-5,9H2,1-2H3
InChIKeyUALSUHWJPAOZQM-UHFFFAOYSA-N
MW355.25 g/mol
LogP4.42
Rot. Bonds7

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

N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine (PubChem CID 65184536) has the molecular formula C16H20BrFN2O and a molecular weight of 355.25 g/mol. Its IUPAC name is N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
PubChem CID65184536
Molecular FormulaC16H20BrFN2O
Molecular Weight355.25 g/mol
Exact Mass354.07
IUPAC NameN-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ncc(-c2cc(F)cc(Br)c2)o1
InChIInChI=1S/C16H20BrFN2O/c1-11(2)9-19-5-3-4-16-20-10-15(21-16)12-6-13(17)8-14(18)7-12/h6-8,10-11,19H,3-5,9H2,1-2H3
InChIKeyUALSUHWJPAOZQM-UHFFFAOYSA-N
XLogP4.42
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 54.42
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

N-[3-[5-(3,5-difluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184439
N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185138
2-methyl-N-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 65184743
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184690
N-[3-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 79996430
3-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 107941923
N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184894
N-[3-(3-bromo-5-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79709252
N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185137
2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine
CID 65185038
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 66423104
N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186839

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine (CID 65184536) is N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine is CC(C)CNCCCc1ncc(-c2cc(F)cc(Br)c2)o1.
What is the InChIKey of N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is UALSUHWJPAOZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O/c1-11(2)9-19-5-3-4-16-20-10-15(21-16)12-6-13(17)8-14(18)7-12/h6-8,10-11,19H,3-5,9H2,1-2H3.
What are the key properties of N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 355.25 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65184536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).