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

C14H15F3N2O — CID 79755992

IUPAC2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ncc(-c2ccc(F)c(F)c2F)o1
InChIInChI=1S/C14H15F3N2O/c1-14(2,3)19-7-11-18-6-10(20-11)8-4-5-9(15)13(17)12(8)16/h4-6,19H,7H2,1-3H3
InChIKeyOIQWLHAXUWGEQW-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.65
Rot. Bonds3

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

2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine (PubChem CID 79755992) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
PubChem CID79755992
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ncc(-c2ccc(F)c(F)c2F)o1
InChIInChI=1S/C14H15F3N2O/c1-14(2,3)19-7-11-18-6-10(20-11)8-4-5-9(15)13(17)12(8)16/h4-6,19H,7H2,1-3H3
InChIKeyOIQWLHAXUWGEQW-UHFFFAOYSA-N
XLogP3.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184324
N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 79755784
2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 79807749
N-ethyl-1-[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 79756753
N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106690336
N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 102885570
N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 79084139
2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184322
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183656
2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 79206242
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184219
2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183975

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine (CID 79755992) is 2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1ncc(-c2ccc(F)c(F)c2F)o1.
What is the InChIKey of 2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The InChIKey is OIQWLHAXUWGEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-14(2,3)19-7-11-18-6-10(20-11)8-4-5-9(15)13(17)12(8)16/h4-6,19H,7H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine has a molecular weight of 284.28 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 79755992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).