1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine

C14H18FN3O — CID 78843166

IUPAC1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
SMILESCCc1noc(C(C)N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C14H18FN3O/c1-4-13-16-14(19-17-13)10(2)18(3)9-11-6-5-7-12(15)8-11/h5-8,10H,4,9H2,1-3H3
InChIKeyAYTUFRWZOSDCIM-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.96
Rot. Bonds5

About 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine

1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine (PubChem CID 78843166) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
PubChem CID78843166
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
SMILESCCc1noc(C(C)N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C14H18FN3O/c1-4-13-16-14(19-17-13)10(2)18(3)9-11-6-5-7-12(15)8-11/h5-8,10H,4,9H2,1-3H3
InChIKeyAYTUFRWZOSDCIM-UHFFFAOYSA-N
XLogP2.96
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine 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

(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 97312274
1-(3-fluorophenyl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 86920071
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 122140721
5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 63771999
4-[[methyl-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzonitrile
CID 94104043
1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 61219332
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846811
3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine
CID 79414838
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine
CID 43049437
(1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95282474
3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide
CID 95767805
2-[1-[(3-fluorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 136952627

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine (CID 78843166) is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine is CCc1noc(C(C)N(C)Cc2cccc(F)c2)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The InChIKey is AYTUFRWZOSDCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-13-16-14(19-17-13)10(2)18(3)9-11-6-5-7-12(15)8-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 78843166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).