(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

C17H26N6O2 — CID 97142417

IUPAC(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1n[nH]c(C)c1[C@H](N)C(=O)N1CCC(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C17H26N6O2/c1-9(2)15-19-16(25-22-15)12-5-7-23(8-6-12)17(24)14(18)13-10(3)20-21-11(13)4/h9,12,14H,5-8,18H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyAYFVIHNQHOEATP-AWEZNQCLSA-N
MW346.44 g/mol
LogP1.94
Rot. Bonds4

About (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 97142417) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID97142417
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1n[nH]c(C)c1[C@H](N)C(=O)N1CCC(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C17H26N6O2/c1-9(2)15-19-16(25-22-15)12-5-7-23(8-6-12)17(24)14(18)13-10(3)20-21-11(13)4/h9,12,14H,5-8,18H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyAYFVIHNQHOEATP-AWEZNQCLSA-N
XLogP1.94
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 70763714
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91786172
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 95140403
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 154915178
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155503006
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70737317
(2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119744954
2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119744961
3-phenyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one
CID 75765861
(2-amino-1,3-benzothiazol-5-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155501762
propan-2-yl (2S)-2-[5-bromo-2,6-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-pyridinyl]-2-hydroxyacetate
CID 118307876
7-[1-oxo-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-yl]oxychromen-2-one
CID 171907324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 97142417) is (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is Cc1n[nH]c(C)c1[C@H](N)C(=O)N1CCC(c2nc(C(C)C)no2)CC1.
What is the InChIKey of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is AYFVIHNQHOEATP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-9(2)15-19-16(25-22-15)12-5-7-23(8-6-12)17(24)14(18)13-10(3)20-21-11(13)4/h9,12,14H,5-8,18H2,1-4H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 346.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97142417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).