[(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C13H19FN4O2 — CID 131958854

IUPAC[(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1Cc1cnc[nH]1)N1CCOCC1
InChIInChI=1S/C13H19FN4O2/c14-10-5-12(13(19)17-1-3-20-4-2-17)18(7-10)8-11-6-15-9-16-11/h6,9-10,12H,1-5,7-8H2,(H,15,16)/t10-,12+/m1/s1
InChIKeyAJSHCBXLFOMKDB-PWSUYJOCSA-N
MW282.32 g/mol
LogP0.18
Rot. Bonds3

About [(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 131958854) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID131958854
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name[(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1Cc1cnc[nH]1)N1CCOCC1
InChIInChI=1S/C13H19FN4O2/c14-10-5-12(13(19)17-1-3-20-4-2-17)18(7-10)8-11-6-15-9-16-11/h6,9-10,12H,1-5,7-8H2,(H,15,16)/t10-,12+/m1/s1
InChIKeyAJSHCBXLFOMKDB-PWSUYJOCSA-N
XLogP0.18
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 131958854) is [(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@@H](F)CN1Cc1cnc[nH]1)N1CCOCC1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is AJSHCBXLFOMKDB-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H19FN4O2/c14-10-5-12(13(19)17-1-3-20-4-2-17)18(7-10)8-11-6-15-9-16-11/h6,9-10,12H,1-5,7-8H2,(H,15,16)/t10-,12+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 282.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 131958854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).