N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline

C18H16F3N3O — CID 17453882

IUPACN-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
SMILESCc1cccc(-c2nnc(C(C)Nc3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C18H16F3N3O/c1-11-5-3-6-13(9-11)17-24-23-16(25-17)12(2)22-15-8-4-7-14(10-15)18(19,20)21/h3-10,12,22H,1-2H3
InChIKeyUOVYUCVQNNLSRY-UHFFFAOYSA-N
MW347.34 g/mol
LogP5.24
Rot. Bonds4

About N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline

N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline (PubChem CID 17453882) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
PubChem CID17453882
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
SMILESCc1cccc(-c2nnc(C(C)Nc3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C18H16F3N3O/c1-11-5-3-6-13(9-11)17-24-23-16(25-17)12(2)22-15-8-4-7-14(10-15)18(19,20)21/h3-10,12,22H,1-2H3
InChIKeyUOVYUCVQNNLSRY-UHFFFAOYSA-N
XLogP5.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.34
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline 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

CID 78427023
CID 78427023
Piperazine, 1-phenyl-4-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-
CID 3080234
5-Chloro-N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-YL)methyl]-2-methylaniline
CID 16026383
2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 4665154
N-{3-[5-(3-Propionylamino-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-propionamide
CID 1921194
2-[[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990242
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 1803647
1-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 2243296
N-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-N,3-dimethylaniline
CID 6625048
1-(2,5-Dimethylphenyl)-4-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 15990110
N-[(2-Chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-YL]methyl]-3,5-dimethylaniline
CID 15990153
4-Bromo-N-[(2-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-YL)methyl]-3-methylaniline
CID 15990177

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline (CID 17453882) is N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline is Cc1cccc(-c2nnc(C(C)Nc3cccc(C(F)(F)F)c3)o2)c1.
What is the InChIKey of N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is UOVYUCVQNNLSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-11-5-3-6-13(9-11)17-24-23-16(25-17)12(2)22-15-8-4-7-14(10-15)18(19,20)21/h3-10,12,22H,1-2H3.
What are the key properties of N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline?
N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 347.34 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 17453882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).