N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine

C14H15F3N2O — CID 65288378

IUPACN-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H15F3N2O/c1-2-7-18-8-10-9-20-13(19-10)11-5-3-4-6-12(11)14(15,16)17/h3-6,9,18H,2,7-8H2,1H3
InChIKeyLYWNUHTZRPXLSY-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.86
Rot. Bonds5

About N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine

N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 65288378) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID65288378
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC NameN-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H15F3N2O/c1-2-7-18-8-10-9-20-13(19-10)11-5-3-4-6-12(11)14(15,16)17/h3-6,9,18H,2,7-8H2,1H3
InChIKeyLYWNUHTZRPXLSY-UHFFFAOYSA-N
XLogP3.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.86
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 65288378) is N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1coc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is LYWNUHTZRPXLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-2-7-18-8-10-9-20-13(19-10)11-5-3-4-6-12(11)14(15,16)17/h3-6,9,18H,2,7-8H2,1H3.
What are the key properties of N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 284.28 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65288378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).