(1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C19H20FN5O2 — CID 66618458

IUPAC(1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)nn1C
InChIInChI=1S/C19H20FN5O2/c1-12-10-16(22-24(12)2)19(26)25-9-3-4-14(11-25)18-21-17(23-27-18)13-5-7-15(20)8-6-13/h5-8,10,14H,3-4,9,11H2,1-2H3
InChIKeyPSZICAUUIXXCES-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.94
Rot. Bonds3

About (1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 66618458) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID66618458
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)nn1C
InChIInChI=1S/C19H20FN5O2/c1-12-10-16(22-24(12)2)19(26)25-9-3-4-14(11-25)18-21-17(23-27-18)13-5-7-15(20)8-6-13/h5-8,10,14H,3-4,9,11H2,1-2H3
InChIKeyPSZICAUUIXXCES-UHFFFAOYSA-N
XLogP2.94
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 66618458) is (1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is PSZICAUUIXXCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-12-10-16(22-24(12)2)19(26)25-9-3-4-14(11-25)18-21-17(23-27-18)13-5-7-15(20)8-6-13/h5-8,10,14H,3-4,9,11H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 369.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 66618458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).