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

C18H18F2N4O2 — CID 69324059

IUPAC(4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](N2C=C(c3cc(F)c[nH]3)ON2)C1
InChIInChI=1S/C18H18F2N4O2/c19-13-5-3-12(4-6-13)18(25)23-7-1-2-15(10-23)24-11-17(26-22-24)16-8-14(20)9-21-16/h3-6,8-9,11,15,21-22H,1-2,7,10H2/t15-/m0/s1
InChIKeyDKGCEIUYRLYYNE-HNNXBMFYSA-N
MW360.36 g/mol
LogP2.65
Rot. Bonds3

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

(4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 69324059) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID69324059
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name(4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](N2C=C(c3cc(F)c[nH]3)ON2)C1
InChIInChI=1S/C18H18F2N4O2/c19-13-5-3-12(4-6-13)18(25)23-7-1-2-15(10-23)24-11-17(26-22-24)16-8-14(20)9-21-16/h3-6,8-9,11,15,21-22H,1-2,7,10H2/t15-/m0/s1
InChIKeyDKGCEIUYRLYYNE-HNNXBMFYSA-N
XLogP2.65
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.65
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-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 69324059) is (4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC[C@H](N2C=C(c3cc(F)c[nH]3)ON2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is DKGCEIUYRLYYNE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c19-13-5-3-12(4-6-13)18(25)23-7-1-2-15(10-23)24-11-17(26-22-24)16-8-14(20)9-21-16/h3-6,8-9,11,15,21-22H,1-2,7,10H2/t15-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 360.36 g/mol, XLogP of 2.65, 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-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 69324059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).