[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

C17H25N5O2 — CID 70737317

IUPAC[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)n[nH]1
InChIInChI=1S/C17H25N5O2/c1-4-5-13-10-14(20-19-13)17(23)22-8-6-12(7-9-22)16-18-15(11(2)3)21-24-16/h10-12H,4-9H2,1-3H3,(H,19,20)
InChIKeyCUZOQOVZMHJUES-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.89
Rot. Bonds5

About [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 70737317) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID70737317
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)n[nH]1
InChIInChI=1S/C17H25N5O2/c1-4-5-13-10-14(20-19-13)17(23)22-8-6-12(7-9-22)16-18-15(11(2)3)21-24-16/h10-12H,4-9H2,1-3H3,(H,19,20)
InChIKeyCUZOQOVZMHJUES-UHFFFAOYSA-N
XLogP2.89
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70706302
[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 97124144
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
CID 131940108
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 131893064
(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
4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239685
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 86824416
(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 70780966
(2-amino-1,3-benzothiazol-5-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155501762
5-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 90649325
[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 51872024
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

Frequently Asked Questions

What is the IUPAC name of [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (CID 70737317) is [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)n[nH]1.
What is the InChIKey of [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is CUZOQOVZMHJUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-5-13-10-14(20-19-13)17(23)22-8-6-12(7-9-22)16-18-15(11(2)3)21-24-16/h10-12H,4-9H2,1-3H3,(H,19,20).
What are the key properties of [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 331.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 70737317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).