3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine

C17H15F2N5O — CID 167898363

IUPAC3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine
SMILESFc1ccc(-c2noc(NC3CCN(c4ncccc4F)C3)n2)cc1
InChIInChI=1S/C17H15F2N5O/c18-12-5-3-11(4-6-12)15-22-17(25-23-15)21-13-7-9-24(10-13)16-14(19)2-1-8-20-16/h1-6,8,13H,7,9-10H2,(H,21,22,23)
InChIKeyAYCYOOGGTJEUDX-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.10
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine

3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine (PubChem CID 167898363) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine
PubChem CID167898363
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine
SMILESFc1ccc(-c2noc(NC3CCN(c4ncccc4F)C3)n2)cc1
InChIInChI=1S/C17H15F2N5O/c18-12-5-3-11(4-6-12)15-22-17(25-23-15)21-13-7-9-24(10-13)16-14(19)2-1-8-20-16/h1-6,8,13H,7,9-10H2,(H,21,22,23)
InChIKeyAYCYOOGGTJEUDX-UHFFFAOYSA-N
XLogP3.10
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine with MolForge

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Related Compounds

5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 133404187
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133491003
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine
CID 99620171
(3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine
CID 97233255
3-(4-fluorophenyl)-5-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133282045
4-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]morpholine
CID 172905301
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1S)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
CID 97323599
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
CID 97323600
2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133412333
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
CID 136564462
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
CID 119051968

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine (CID 167898363) is 3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine is Fc1ccc(-c2noc(NC3CCN(c4ncccc4F)C3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine?
The InChIKey is AYCYOOGGTJEUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c18-12-5-3-11(4-6-12)15-22-17(25-23-15)21-13-7-9-24(10-13)16-14(19)2-1-8-20-16/h1-6,8,13H,7,9-10H2,(H,21,22,23).
What are the key properties of 3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine?
3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine has a molecular weight of 343.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 167898363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).