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

C15H17F3N2O — CID 115086973

IUPACN-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(Cc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H17F3N2O/c1-19-8-2-3-13-10-20-14(21-13)9-11-4-6-12(7-5-11)15(16,17)18/h4-7,10,19H,2-3,8-9H2,1H3
InChIKeySZCYWNUVPQDADI-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.44
Rot. Bonds6

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

N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine (PubChem CID 115086973) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine
PubChem CID115086973
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(Cc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H17F3N2O/c1-19-8-2-3-13-10-20-14(21-13)9-11-4-6-12(7-5-11)15(16,17)18/h4-7,10,19H,2-3,8-9H2,1H3
InChIKeySZCYWNUVPQDADI-UHFFFAOYSA-N
XLogP3.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62136889
N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine
CID 115006501
N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091957
N-methyl-3-[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115087589
N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115087182
2-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-5-yl]-N-methylethanamine
CID 115086967
2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol
CID 115086866
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120
3-[5-(methoxymethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186999
3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086975
3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62115615
N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085482

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine (CID 115086973) is N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine is CNCCCc1cnc(Cc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine?
The InChIKey is SZCYWNUVPQDADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-19-8-2-3-13-10-20-14(21-13)9-11-4-6-12(7-5-11)15(16,17)18/h4-7,10,19H,2-3,8-9H2,1H3.
What are the key properties of N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine?
N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine has a molecular weight of 298.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 115086973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).