[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C16H22N4O2 — CID 95776563

IUPAC[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCC[C@@H](C)c1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)on1
InChIInChI=1S/C16H22N4O2/c1-3-11(2)14-9-15(22-19-14)16(21)20-8-4-5-12(10-20)13-6-7-17-18-13/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyDKSKXXXCUJKSRB-VXGBXAGGSA-N
MW302.38 g/mol
LogP2.93
Rot. Bonds4

About [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95776563) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95776563
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCC[C@@H](C)c1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)on1
InChIInChI=1S/C16H22N4O2/c1-3-11(2)14-9-15(22-19-14)16(21)20-8-4-5-12(10-20)13-6-7-17-18-13/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyDKSKXXXCUJKSRB-VXGBXAGGSA-N
XLogP2.93
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776392
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903
[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone
CID 154759823
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125019919
[5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 131932023
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124611332
[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126446490
[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126446489
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
[3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 127246886
2-(aminomethyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 65227203

Frequently Asked Questions

What is the IUPAC name of [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95776563) is [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CC[C@@H](C)c1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)on1.
What is the InChIKey of [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is DKSKXXXCUJKSRB-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-11(2)14-9-15(22-19-14)16(21)20-8-4-5-12(10-20)13-6-7-17-18-13/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95776563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).