1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one

C18H26N4O2 — CID 92586497

IUPAC1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1onc(C)c1C
InChIInChI=1S/C18H26N4O2/c1-5-8-16(23)22-10-7-6-9-15(22)17-14(11-21(4)19-17)18-12(2)13(3)20-24-18/h11,15H,5-10H2,1-4H3/t15-/m1/s1
InChIKeyCDXHLYRAKNNYFE-OAHLLOKOSA-N
MW330.43 g/mol
LogP3.55
Rot. Bonds4

About 1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one

1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one (PubChem CID 92586497) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one
PubChem CID92586497
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1onc(C)c1C
InChIInChI=1S/C18H26N4O2/c1-5-8-16(23)22-10-7-6-9-15(22)17-14(11-21(4)19-17)18-12(2)13(3)20-24-18/h11,15H,5-10H2,1-4H3/t15-/m1/s1
InChIKeyCDXHLYRAKNNYFE-OAHLLOKOSA-N
XLogP3.55
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
CID 92596895
2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 92554252
2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95850470
1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95850476
1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide
CID 171667099
1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
CID 92554277
1-[(2R)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 92590457
1-[(2R)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 92593692
2-cyclohexyl-1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92596918
1-[(2R)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92596924
2-cyclopentyl-1-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218512
1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 110236368

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one (CID 92586497) is 1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1onc(C)c1C.
What is the InChIKey of 1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one?
The InChIKey is CDXHLYRAKNNYFE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-8-16(23)22-10-7-6-9-15(22)17-14(11-21(4)19-17)18-12(2)13(3)20-24-18/h11,15H,5-10H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one?
1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one has a molecular weight of 330.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 92586497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).