N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine

C15H17F3N2O — CID 65187510

IUPACN-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCCCNCCCc1ncc(-c2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C15H17F3N2O/c1-2-5-19-6-3-4-14-20-9-13(21-14)10-7-11(16)15(18)12(17)8-10/h7-9,19H,2-6H2,1H3
InChIKeyFFLLPCHIJWDEQD-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.69
Rot. Bonds7

About N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine

N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65187510) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65187510
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCCCNCCCc1ncc(-c2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C15H17F3N2O/c1-2-5-19-6-3-4-14-20-9-13(21-14)10-7-11(16)15(18)12(17)8-10/h7-9,19H,2-6H2,1H3
InChIKeyFFLLPCHIJWDEQD-UHFFFAOYSA-N
XLogP3.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186872
3-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187021
N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186839
3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187027
3-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 81461014
N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183109
3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186776
N-[3-[5-(3,5-difluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184439
3-[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 79083793
3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187169
3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187028
3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65185146

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65187510) is N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine is CCCNCCCc1ncc(-c2cc(F)c(F)c(F)c2)o1.
What is the InChIKey of N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is FFLLPCHIJWDEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-2-5-19-6-3-4-14-20-9-13(21-14)10-7-11(16)15(18)12(17)8-10/h7-9,19H,2-6H2,1H3.
What are the key properties of N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 298.31 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65187510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).