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

C12H14FN3O — CID 62164268

IUPAC1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(Cc2ccccc2F)o1
InChIInChI=1S/C12H14FN3O/c1-8(14-2)12-16-15-11(17-12)7-9-5-3-4-6-10(9)13/h3-6,8,14H,7H2,1-2H3
InChIKeyBSABVFNNVISINA-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.08
Rot. Bonds4

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

1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 62164268) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID62164268
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(Cc2ccccc2F)o1
InChIInChI=1S/C12H14FN3O/c1-8(14-2)12-16-15-11(17-12)7-9-5-3-4-6-10(9)13/h3-6,8,14H,7H2,1-2H3
InChIKeyBSABVFNNVISINA-UHFFFAOYSA-N
XLogP2.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966743
N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62366775
2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 114771364
N-ethyl-2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162910
2-butan-2-yl-5-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazole
CID 130255049
N-[2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044253
1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164952
N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970746
N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
CID 83121997
1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026384
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62229658
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970855

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 62164268) is 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNC(C)c1nnc(Cc2ccccc2F)o1.
What is the InChIKey of 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is BSABVFNNVISINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(14-2)12-16-15-11(17-12)7-9-5-3-4-6-10(9)13/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 235.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 62164268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).