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

C14H20FN5O — CID 128990706

IUPAC1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CNCc2cccn2C)o1
InChIInChI=1S/C14H20FN5O/c1-10-17-18-14(21-10)20-9-11(15)6-13(20)8-16-7-12-4-3-5-19(12)2/h3-5,11,13,16H,6-9H2,1-2H3/t11-,13-/m0/s1
InChIKeyVSAZBUWVTIYRAI-AAEUAGOBSA-N
MW293.35 g/mol
LogP1.42
Rot. Bonds5

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

1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine (PubChem CID 128990706) has the molecular formula C14H20FN5O and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
PubChem CID128990706
Molecular FormulaC14H20FN5O
Molecular Weight293.35 g/mol
Exact Mass293.17
IUPAC Name1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CNCc2cccn2C)o1
InChIInChI=1S/C14H20FN5O/c1-10-17-18-14(21-10)20-9-11(15)6-13(20)8-16-7-12-4-3-5-19(12)2/h3-5,11,13,16H,6-9H2,1-2H3/t11-,13-/m0/s1
InChIKeyVSAZBUWVTIYRAI-AAEUAGOBSA-N
XLogP1.42
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine (CID 128990706) is 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine is Cc1nnc(N2C[C@@H](F)C[C@H]2CNCc2cccn2C)o1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The InChIKey is VSAZBUWVTIYRAI-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H20FN5O/c1-10-17-18-14(21-10)20-9-11(15)6-13(20)8-16-7-12-4-3-5-19(12)2/h3-5,11,13,16H,6-9H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine has a molecular weight of 293.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 128990706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).