N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine

C20H28FN3O — CID 56569879

IUPACN-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine
SMILESCc1ccc(-c2noc(CCCN(C(C)C)C3CCCC3)n2)cc1F
InChIInChI=1S/C20H28FN3O/c1-14(2)24(17-7-4-5-8-17)12-6-9-19-22-20(23-25-19)16-11-10-15(3)18(21)13-16/h10-11,13-14,17H,4-9,12H2,1-3H3
InChIKeyFZKHZXJGXXEFKM-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.77
Rot. Bonds7

About N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine

N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine (PubChem CID 56569879) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine.

Molecular Properties

Compound NameN-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine
PubChem CID56569879
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC NameN-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine
SMILESCc1ccc(-c2noc(CCCN(C(C)C)C3CCCC3)n2)cc1F
InChIInChI=1S/C20H28FN3O/c1-14(2)24(17-7-4-5-8-17)12-6-9-19-22-20(23-25-19)16-11-10-15(3)18(21)13-16/h10-11,13-14,17H,4-9,12H2,1-3H3
InChIKeyFZKHZXJGXXEFKM-UHFFFAOYSA-N
XLogP4.77
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol
CID 111102002
N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 56549190
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349162
1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol
CID 111336146
1-cyclopropyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 55200681
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345348
3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol
CID 95353156
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55924367
N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide
CID 60542044
1-[3-(dimethylamino)azetidin-1-yl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 75394626
methyl 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 56550614
3-(3-fluoro-4-methylphenyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62689952

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine?
The IUPAC name of N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine (CID 56569879) is N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine.
What is the SMILES notation for N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine?
The canonical SMILES for N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine is Cc1ccc(-c2noc(CCCN(C(C)C)C3CCCC3)n2)cc1F.
What is the InChIKey of N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine?
The InChIKey is FZKHZXJGXXEFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-14(2)24(17-7-4-5-8-17)12-6-9-19-22-20(23-25-19)16-11-10-15(3)18(21)13-16/h10-11,13-14,17H,4-9,12H2,1-3H3.
What are the key properties of N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine?
N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine has a molecular weight of 345.46 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine is sourced from PubChem (CID 56569879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).