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

C16H23N5O2 — CID 51984720

IUPAC(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1nc(C)c(C(=O)N2CCCC[C@H]2c2nc(C)no2)c1C
InChIInChI=1S/C16H23N5O2/c1-5-21-11(3)14(10(2)18-21)16(22)20-9-7-6-8-13(20)15-17-12(4)19-23-15/h13H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyCTYVQOZAQXPDAZ-ZDUSSCGKSA-N
MW317.39 g/mol
LogP2.58
Rot. Bonds3

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

(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 51984720) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID51984720
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1nc(C)c(C(=O)N2CCCC[C@H]2c2nc(C)no2)c1C
InChIInChI=1S/C16H23N5O2/c1-5-21-11(3)14(10(2)18-21)16(22)20-9-7-6-8-13(20)15-17-12(4)19-23-15/h13H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyCTYVQOZAQXPDAZ-ZDUSSCGKSA-N
XLogP2.58
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 51984720) is (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is CCn1nc(C)c(C(=O)N2CCCC[C@H]2c2nc(C)no2)c1C.
What is the InChIKey of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is CTYVQOZAQXPDAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-5-21-11(3)14(10(2)18-21)16(22)20-9-7-6-8-13(20)15-17-12(4)19-23-15/h13H,5-9H2,1-4H3/t13-/m0/s1.
What are the key properties of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 51984720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).