[(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine

C8H13FN4O — CID 124709330

IUPAC[(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine
SMILESCc1nnc(N2C[C@H](F)C[C@H]2CN)o1
InChIInChI=1S/C8H13FN4O/c1-5-11-12-8(14-5)13-4-6(9)2-7(13)3-10/h6-7H,2-4,10H2,1H3/t6-,7+/m1/s1
InChIKeyIYZHGWJLLOFEIN-RQJHMYQMSA-N
MW200.22 g/mol
LogP0.25
Rot. Bonds2

About [(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine

[(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 124709330) has the molecular formula C8H13FN4O and a molecular weight of 200.22 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID124709330
Molecular FormulaC8H13FN4O
Molecular Weight200.22 g/mol
Exact Mass200.11
IUPAC Name[(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine
SMILESCc1nnc(N2C[C@H](F)C[C@H]2CN)o1
InChIInChI=1S/C8H13FN4O/c1-5-11-12-8(14-5)13-4-6(9)2-7(13)3-10/h6-7H,2-4,10H2,1H3/t6-,7+/m1/s1
InChIKeyIYZHGWJLLOFEIN-RQJHMYQMSA-N
XLogP0.25
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 122199283
1-(2-ethoxyethyl)-3-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]urea
CID 128974797
1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-3-(3-methylsulfanylpropyl)urea
CID 128974906
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylprop-2-en-1-amine
CID 154753626
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 128990957
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide
CID 129336581
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 128990795
2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol
CID 128990716
1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(4-methyl-1,2-oxazol-3-yl)urea
CID 128991400
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide
CID 129335827
1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 154753634
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine
CID 134516010

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine (CID 124709330) is [(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine is Cc1nnc(N2C[C@H](F)C[C@H]2CN)o1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is IYZHGWJLLOFEIN-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13FN4O/c1-5-11-12-8(14-5)13-4-6(9)2-7(13)3-10/h6-7H,2-4,10H2,1H3/t6-,7+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine?
[(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 200.22 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 124709330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).