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

C19H20FN3O — CID 25383385

IUPACN-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine
SMILESCN(CCc1ccccc1)Cc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C19H20FN3O/c1-23(11-10-15-6-3-2-4-7-15)14-19-21-18(22-24-19)13-16-8-5-9-17(20)12-16/h2-9,12H,10-11,13-14H2,1H3
InChIKeyQIWNBNMOYHDFRH-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.47
Rot. Bonds7

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

N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine (PubChem CID 25383385) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine
PubChem CID25383385
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC NameN-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine
SMILESCN(CCc1ccccc1)Cc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C19H20FN3O/c1-23(11-10-15-6-3-2-4-7-15)14-19-21-18(22-24-19)13-16-8-5-9-17(20)12-16/h2-9,12H,10-11,13-14H2,1H3
InChIKeyQIWNBNMOYHDFRH-UHFFFAOYSA-N
XLogP3.47
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine?
The IUPAC name of N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine (CID 25383385) is N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine is CN(CCc1ccccc1)Cc1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine?
The InChIKey is QIWNBNMOYHDFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-23(11-10-15-6-3-2-4-7-15)14-19-21-18(22-24-19)13-16-8-5-9-17(20)12-16/h2-9,12H,10-11,13-14H2,1H3.
What are the key properties of N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine?
N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine has a molecular weight of 325.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 25383385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).