(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C15H20FN5O2 — CID 164638839

IUPAC(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCC[C@@](F)(c3nc(C)no3)C2)c1C
InChIInChI=1S/C15H20FN5O2/c1-4-21-10(2)12(8-17-21)13(22)20-7-5-6-15(16,9-20)14-18-11(3)19-23-14/h8H,4-7,9H2,1-3H3/t15-/m0/s1
InChIKeyDQJNODSUFZFXLC-HNNXBMFYSA-N
MW321.36 g/mol
LogP2.00
Rot. Bonds3

About (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 164638839) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID164638839
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCC[C@@](F)(c3nc(C)no3)C2)c1C
InChIInChI=1S/C15H20FN5O2/c1-4-21-10(2)12(8-17-21)13(22)20-7-5-6-15(16,9-20)14-18-11(3)19-23-14/h8H,4-7,9H2,1-3H3/t15-/m0/s1
InChIKeyDQJNODSUFZFXLC-HNNXBMFYSA-N
XLogP2.00
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 164638839) is (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is CCn1ncc(C(=O)N2CCC[C@@](F)(c3nc(C)no3)C2)c1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is DQJNODSUFZFXLC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-4-21-10(2)12(8-17-21)13(22)20-7-5-6-15(16,9-20)14-18-11(3)19-23-14/h8H,4-7,9H2,1-3H3/t15-/m0/s1.
What are the key properties of (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 321.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 164638839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).