2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone

C17H23N5O2 — CID 95180415

IUPAC2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)CN2CCCC[C@H]2c2nc(C3CC3)no2)n1
InChIInChI=1S/C17H23N5O2/c1-11-9-12(2)22(19-11)15(23)10-21-8-4-3-5-14(21)17-18-16(20-24-17)13-6-7-13/h9,13-14H,3-8,10H2,1-2H3/t14-/m0/s1
InChIKeyXKJKQUAWCNEZEE-AWEZNQCLSA-N
MW329.40 g/mol
LogP2.63
Rot. Bonds4

About 2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone

2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 95180415) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID95180415
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)CN2CCCC[C@H]2c2nc(C3CC3)no2)n1
InChIInChI=1S/C17H23N5O2/c1-11-9-12(2)22(19-11)15(23)10-21-8-4-3-5-14(21)17-18-16(20-24-17)13-6-7-13/h9,13-14H,3-8,10H2,1-2H3/t14-/m0/s1
InChIKeyXKJKQUAWCNEZEE-AWEZNQCLSA-N
XLogP2.63
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone (CID 95180415) is 2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone is Cc1cc(C)n(C(=O)CN2CCCC[C@H]2c2nc(C3CC3)no2)n1.
What is the InChIKey of 2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is XKJKQUAWCNEZEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-9-12(2)22(19-11)15(23)10-21-8-4-3-5-14(21)17-18-16(20-24-17)13-6-7-13/h9,13-14H,3-8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone?
2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 95180415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).