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

C16H22FN3O — CID 63349843

IUPAC3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1nc(Cc2cccc(F)c2)no1)C(C)C
InChIInChI=1S/C16H22FN3O/c1-10(2)15(11(3)18-4)16-19-14(20-21-16)9-12-6-5-7-13(17)8-12/h5-8,10-11,15,18H,9H2,1-4H3
InChIKeyCHNMEHMWOFLIRV-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.15
Rot. Bonds6

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

3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (PubChem CID 63349843) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
PubChem CID63349843
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1nc(Cc2cccc(F)c2)no1)C(C)C
InChIInChI=1S/C16H22FN3O/c1-10(2)15(11(3)18-4)16-19-14(20-21-16)9-12-6-5-7-13(17)8-12/h5-8,10-11,15,18H,9H2,1-4H3
InChIKeyCHNMEHMWOFLIRV-UHFFFAOYSA-N
XLogP3.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (CID 63349843) is 3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is CNC(C)C(c1nc(Cc2cccc(F)c2)no1)C(C)C.
What is the InChIKey of 3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The InChIKey is CHNMEHMWOFLIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-10(2)15(11(3)18-4)16-19-14(20-21-16)9-12-6-5-7-13(17)8-12/h5-8,10-11,15,18H,9H2,1-4H3.
What are the key properties of 3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 63349843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).