[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone

C22H26N4O2 — CID 124948971

IUPAC[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)c1C
InChIInChI=1S/C22H26N4O2/c1-3-19-15(2)20(25-24-19)22(27)26-11-7-10-17(14-26)21-23-13-18(28-21)12-16-8-5-4-6-9-16/h4-6,8-9,13,17H,3,7,10-12,14H2,1-2H3,(H,24,25)/t17-/m1/s1
InChIKeyCQPOKMOTTFJLAL-QGZVFWFLSA-N
MW378.48 g/mol
LogP3.88
Rot. Bonds5

About [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone

[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 124948971) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
PubChem CID124948971
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)c1C
InChIInChI=1S/C22H26N4O2/c1-3-19-15(2)20(25-24-19)22(27)26-11-7-10-17(14-26)21-23-13-18(28-21)12-16-8-5-4-6-9-16/h4-6,8-9,13,17H,3,7,10-12,14H2,1-2H3,(H,24,25)/t17-/m1/s1
InChIKeyCQPOKMOTTFJLAL-QGZVFWFLSA-N
XLogP3.88
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 110119583
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125006423
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124988376
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 110119777
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124952533
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124957437
[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948498
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948499
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 110119492
1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,6-dimethylphenoxy)ethanone
CID 125001091
6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 110133724
1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 125018171

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone (CID 124948971) is [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone is CCc1[nH]nc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)c1C.
What is the InChIKey of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is CQPOKMOTTFJLAL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-19-15(2)20(25-24-19)22(27)26-11-7-10-17(14-26)21-23-13-18(28-21)12-16-8-5-4-6-9-16/h4-6,8-9,13,17H,3,7,10-12,14H2,1-2H3,(H,24,25)/t17-/m1/s1.
What are the key properties of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone?
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 378.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 124948971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).