5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C19H22FN5O — CID 142694110

IUPAC5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1c(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cnn1C
InChIInChI=1S/C19H22FN5O/c1-13-16(10-21-24(13)2)12-25-9-3-4-15(11-25)19-22-18(23-26-19)14-5-7-17(20)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyOMTKQTVUGMIUEM-HNNXBMFYSA-N
MW355.42 g/mol
LogP3.30
Rot. Bonds4

About 5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 142694110) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID142694110
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1c(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cnn1C
InChIInChI=1S/C19H22FN5O/c1-13-16(10-21-24(13)2)12-25-9-3-4-15(11-25)19-22-18(23-26-19)14-5-7-17(20)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyOMTKQTVUGMIUEM-HNNXBMFYSA-N
XLogP3.30
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 142694110) is 5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is Cc1c(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cnn1C.
What is the InChIKey of 5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is OMTKQTVUGMIUEM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-13-16(10-21-24(13)2)12-25-9-3-4-15(11-25)19-22-18(23-26-19)14-5-7-17(20)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 355.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 142694110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).