1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone

C18H27N5O2 — CID 56728003

IUPAC1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCCC(C)c1noc(C2CCN(C(=O)Cn3nc(C)cc3C)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-5-12(2)17-19-18(25-21-17)15-6-8-22(9-7-15)16(24)11-23-14(4)10-13(3)20-23/h10,12,15H,5-9,11H2,1-4H3
InChIKeyXXSBKDWIMVABST-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.80
Rot. Bonds5

About 1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone

1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 56728003) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID56728003
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCCC(C)c1noc(C2CCN(C(=O)Cn3nc(C)cc3C)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-5-12(2)17-19-18(25-21-17)15-6-8-22(9-7-15)16(24)11-23-14(4)10-13(3)20-23/h10,12,15H,5-9,11H2,1-4H3
InChIKeyXXSBKDWIMVABST-UHFFFAOYSA-N
XLogP2.80
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984840
3-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984850
3-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984861
3-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984868
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52104845
4-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 53555235
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 53555504
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 53556843
4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 53556863
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 53559275
5-Cyclopropyl-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53604964
5-[[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 53623832

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone (CID 56728003) is 1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone is CCC(C)c1noc(C2CCN(C(=O)Cn3nc(C)cc3C)CC2)n1.
What is the InChIKey of 1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is XXSBKDWIMVABST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-12(2)17-19-18(25-21-17)15-6-8-22(9-7-15)16(24)11-23-14(4)10-13(3)20-23/h10,12,15H,5-9,11H2,1-4H3.
What are the key properties of 1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone?
1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 345.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 56728003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).