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

C11H12FN3O — CID 25220755

IUPAC2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN3O/c1-13-7-6-10-14-11(16-15-10)8-2-4-9(12)5-3-8/h2-5,13H,6-7H2,1H3
InChIKeyKAFGVKAKENKLHZ-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.64
Rot. Bonds4

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

2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (PubChem CID 25220755) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
PubChem CID25220755
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN3O/c1-13-7-6-10-14-11(16-15-10)8-2-4-9(12)5-3-8/h2-5,13H,6-7H2,1H3
InChIKeyKAFGVKAKENKLHZ-UHFFFAOYSA-N
XLogP1.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62343277
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 82879699
3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-1-amine
CID 115079419
2-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62342099
N-methyl-2-[5-(2,3,4-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79755402
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754029
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
CID 136525561
N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide
CID 53098271
4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531
2-[5-(4-chloro-2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 82773184
2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 12551367

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (CID 25220755) is 2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is CNCCc1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The InChIKey is KAFGVKAKENKLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-13-7-6-10-14-11(16-15-10)8-2-4-9(12)5-3-8/h2-5,13H,6-7H2,1H3.
What are the key properties of 2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine has a molecular weight of 221.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 25220755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).