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

C14H15F3N2O — CID 115087182

IUPACN-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C14H15F3N2O/c1-18-7-3-6-12-9-19-13(20-12)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8-9,18H,3,6-7H2,1H3
InChIKeyVHWDUSBYTOUBBZ-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.51
Rot. Bonds5

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

N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine (PubChem CID 115087182) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine
PubChem CID115087182
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC NameN-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C14H15F3N2O/c1-18-7-3-6-12-9-19-13(20-12)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8-9,18H,3,6-7H2,1H3
InChIKeyVHWDUSBYTOUBBZ-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086973
N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine
CID 105424029
N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091428
3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine
CID 115086574
N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091957
2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137593
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
N-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184286
N-methyl-3-[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115087589
2-(2-chloroethyl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 43513245
2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol
CID 115086866
5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 21334537

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine (CID 115087182) is N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine is CNCCCc1cnc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine?
The InChIKey is VHWDUSBYTOUBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-18-7-3-6-12-9-19-13(20-12)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8-9,18H,3,6-7H2,1H3.
What are the key properties of N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine?
N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine has a molecular weight of 284.28 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 115087182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).