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

C13H14F3N3O — CID 62818520

IUPACN-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(-c2cc(F)c(F)c(F)c2)no1
InChIInChI=1S/C13H14F3N3O/c1-4-17-13(2,3)12-18-11(19-20-12)7-5-8(14)10(16)9(15)6-7/h5-6,17H,4H2,1-3H3
InChIKeyOUHNSOMAJPQSBX-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.00
Rot. Bonds4

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

N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 62818520) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID62818520
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC NameN-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(-c2cc(F)c(F)c(F)c2)no1
InChIInChI=1S/C13H14F3N3O/c1-4-17-13(2,3)12-18-11(19-20-12)7-5-8(14)10(16)9(15)6-7/h5-6,17H,4H2,1-3H3
InChIKeyOUHNSOMAJPQSBX-UHFFFAOYSA-N
XLogP3.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-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-ethyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55123829
N-ethyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62817614
N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62818521
1,1,1-trifluoro-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79791086
N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62819040
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62818337
N-[[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 55209709
1-cyclopropyl-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64667686
2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62817982
N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63841516
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62819214
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 63089538

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 62818520) is N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCNC(C)(C)c1nc(-c2cc(F)c(F)c(F)c2)no1.
What is the InChIKey of N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is OUHNSOMAJPQSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-4-17-13(2,3)12-18-11(19-20-12)7-5-8(14)10(16)9(15)6-7/h5-6,17H,4H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 285.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 62818520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).