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

C14H17FN4O — CID 103577002

IUPAC1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2noc(-c3ccc(F)cc3)n2)CC1N
InChIInChI=1S/C14H17FN4O/c1-9-6-19(7-12(9)16)8-13-17-14(20-18-13)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8,16H2,1H3
InChIKeySLFGMGOOVLCEPD-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.65
Rot. Bonds3

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

1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine (PubChem CID 103577002) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
PubChem CID103577002
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2noc(-c3ccc(F)cc3)n2)CC1N
InChIInChI=1S/C14H17FN4O/c1-9-6-19(7-12(9)16)8-13-17-14(20-18-13)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8,16H2,1H3
InChIKeySLFGMGOOVLCEPD-UHFFFAOYSA-N
XLogP1.65
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-amine
CID 103576636
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 60917127
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
[1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370309
5-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 167279716
1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909434
1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 42691830
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 63874829
5-(4-methylphenyl)-3-[(3-piperidin-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 91840884
5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 43348682
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 78963885

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine (CID 103577002) is 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2noc(-c3ccc(F)cc3)n2)CC1N.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is SLFGMGOOVLCEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9-6-19(7-12(9)16)8-13-17-14(20-18-13)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8,16H2,1H3.
What are the key properties of 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine?
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 276.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103577002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).