(4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone

C18H19FN4O2 — CID 69323958

IUPAC(4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](N2C=C(c3ccc[nH]3)ON2)C1
InChIInChI=1S/C18H19FN4O2/c19-14-7-5-13(6-8-14)18(24)22-10-2-3-15(11-22)23-12-17(25-21-23)16-4-1-9-20-16/h1,4-9,12,15,20-21H,2-3,10-11H2/t15-/m0/s1
InChIKeyMGBQEFIZKQXSRI-HNNXBMFYSA-N
MW342.37 g/mol
LogP2.51
Rot. Bonds3

About (4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone

(4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 69323958) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID69323958
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name(4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](N2C=C(c3ccc[nH]3)ON2)C1
InChIInChI=1S/C18H19FN4O2/c19-14-7-5-13(6-8-14)18(24)22-10-2-3-15(11-22)23-12-17(25-21-23)16-4-1-9-20-16/h1,4-9,12,15,20-21H,2-3,10-11H2/t15-/m0/s1
InChIKeyMGBQEFIZKQXSRI-HNNXBMFYSA-N
XLogP2.51
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 69323958) is (4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC[C@H](N2C=C(c3ccc[nH]3)ON2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is MGBQEFIZKQXSRI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-14-7-5-13(6-8-14)18(24)22-10-2-3-15(11-22)23-12-17(25-21-23)16-4-1-9-20-16/h1,4-9,12,15,20-21H,2-3,10-11H2/t15-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 342.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 69323958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).