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

C15H25FN8O — CID 128994166

IUPAC1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine
SMILESCCCn1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1
InChIInChI=1S/C15H25FN8O/c1-4-5-24-15(18-20-21-24)10-22(3)8-13-6-12(16)7-23(13)9-14-17-11(2)25-19-14/h12-13H,4-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyVOPSGJLUDYKSIX-STQMWFEESA-N
MW352.42 g/mol
LogP0.82
Rot. Bonds8

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

1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine (PubChem CID 128994166) has the molecular formula C15H25FN8O and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine
PubChem CID128994166
Molecular FormulaC15H25FN8O
Molecular Weight352.42 g/mol
Exact Mass352.21
IUPAC Name1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine
SMILESCCCn1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1
InChIInChI=1S/C15H25FN8O/c1-4-5-24-15(18-20-21-24)10-22(3)8-13-6-12(16)7-23(13)9-14-17-11(2)25-19-14/h12-13H,4-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyVOPSGJLUDYKSIX-STQMWFEESA-N
XLogP0.82
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine (CID 128994166) is 1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine is CCCn1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine?
The InChIKey is VOPSGJLUDYKSIX-STQMWFEESA-N. The full InChI is InChI=1S/C15H25FN8O/c1-4-5-24-15(18-20-21-24)10-22(3)8-13-6-12(16)7-23(13)9-14-17-11(2)25-19-14/h12-13H,4-10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine?
1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine has a molecular weight of 352.42 g/mol, XLogP of 0.82, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 128994166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).