2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone

C18H24N4O3 — CID 91796757

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)c1c(C)nn(CC(=O)N2CCCCC2c2cc(C)on2)c1C
InChIInChI=1S/C18H24N4O3/c1-11-9-15(20-25-11)16-7-5-6-8-21(16)17(24)10-22-13(3)18(14(4)23)12(2)19-22/h9,16H,5-8,10H2,1-4H3
InChIKeyFDYQSBZJHGIDEU-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.75
Rot. Bonds4

About 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 91796757) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
PubChem CID91796757
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)c1c(C)nn(CC(=O)N2CCCCC2c2cc(C)on2)c1C
InChIInChI=1S/C18H24N4O3/c1-11-9-15(20-25-11)16-7-5-6-8-21(16)17(24)10-22-13(3)18(14(4)23)12(2)19-22/h9,16H,5-8,10H2,1-4H3
InChIKeyFDYQSBZJHGIDEU-UHFFFAOYSA-N
XLogP2.75
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91760961
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one
CID 97283695
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 97277737
1-[3-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]azepan-2-one
CID 131940846
3-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 157017436
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
CID 90653270
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone
CID 131938463
4-[2-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
CID 136538331
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]acetamide
CID 124751686

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone (CID 91796757) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone is CC(=O)c1c(C)nn(CC(=O)N2CCCCC2c2cc(C)on2)c1C.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is FDYQSBZJHGIDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-9-15(20-25-11)16-7-5-6-8-21(16)17(24)10-22-13(3)18(14(4)23)12(2)19-22/h9,16H,5-8,10H2,1-4H3.
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 344.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91796757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).