3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

C15H20FN3O — CID 63352155

IUPAC3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC(c1nc(-c2cc(F)ccc2C)no1)C(C)NC
InChIInChI=1S/C15H20FN3O/c1-5-12(10(3)17-4)15-18-14(19-20-15)13-8-11(16)7-6-9(13)2/h6-8,10,12,17H,5H2,1-4H3
InChIKeyBPPOHWCVJOHVAW-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.29
Rot. Bonds5

About 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (PubChem CID 63352155) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
PubChem CID63352155
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC(c1nc(-c2cc(F)ccc2C)no1)C(C)NC
InChIInChI=1S/C15H20FN3O/c1-5-12(10(3)17-4)15-18-14(19-20-15)13-8-11(16)7-6-9(13)2/h6-8,10,12,17H,5H2,1-4H3
InChIKeyBPPOHWCVJOHVAW-UHFFFAOYSA-N
XLogP3.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352199
N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114878940
(1R)-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94420580
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 55221114
3-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 103084080
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62387398
3-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 107915811
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63348439
6-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65286212
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79713030
3-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 55096436

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The IUPAC name of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (CID 63352155) is 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.
What is the SMILES notation for 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The canonical SMILES for 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is CCC(c1nc(-c2cc(F)ccc2C)no1)C(C)NC.
What is the InChIKey of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The InChIKey is BPPOHWCVJOHVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-5-12(10(3)17-4)15-18-14(19-20-15)13-8-11(16)7-6-9(13)2/h6-8,10,12,17H,5H2,1-4H3.
What are the key properties of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is sourced from PubChem (CID 63352155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).