[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone

C16H23N5O2 — CID 95772529

IUPAC[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
SMILESCCc1nc([C@@H]2CCCN(C(=O)c3cnc(C(C)C)[nH]3)C2)no1
InChIInChI=1S/C16H23N5O2/c1-4-13-19-15(20-23-13)11-6-5-7-21(9-11)16(22)12-8-17-14(18-12)10(2)3/h8,10-11H,4-7,9H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyRQHDUEUOJOCQHI-LLVKDONJSA-N
MW317.39 g/mol
LogP2.50
Rot. Bonds4

About [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone

[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone (PubChem CID 95772529) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
PubChem CID95772529
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
SMILESCCc1nc([C@@H]2CCCN(C(=O)c3cnc(C(C)C)[nH]3)C2)no1
InChIInChI=1S/C16H23N5O2/c1-4-13-19-15(20-23-13)11-6-5-7-21(9-11)16(22)12-8-17-14(18-12)10(2)3/h8,10-11H,4-7,9H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyRQHDUEUOJOCQHI-LLVKDONJSA-N
XLogP2.50
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95765310
(3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95320062
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
(5-ethylfuran-2-yl)-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95221622
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
3H-benzimidazol-5-yl-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95290365
1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774773
1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774772
5-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]thiophene-3-carboxamide
CID 95734857
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95243344
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95221941
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 95774244

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone?
The IUPAC name of [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone (CID 95772529) is [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone is CCc1nc([C@@H]2CCCN(C(=O)c3cnc(C(C)C)[nH]3)C2)no1.
What is the InChIKey of [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone?
The InChIKey is RQHDUEUOJOCQHI-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-13-19-15(20-23-13)11-6-5-7-21(9-11)16(22)12-8-17-14(18-12)10(2)3/h8,10-11H,4-7,9H2,1-3H3,(H,17,18)/t11-/m1/s1.
What are the key properties of [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone?
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone is sourced from PubChem (CID 95772529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).