3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole

C12H16N4O — CID 44580096

IUPAC3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESCc1cc(-c2cnn(C3CCNCC3)c2)on1
InChIInChI=1S/C12H16N4O/c1-9-6-12(17-15-9)10-7-14-16(8-10)11-2-4-13-5-3-11/h6-8,11,13H,2-5H2,1H3
InChIKeyPITRDXBGXXUQET-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.77
Rot. Bonds2

About 3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole

3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (PubChem CID 44580096) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
PubChem CID44580096
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESCc1cc(-c2cnn(C3CCNCC3)c2)on1
InChIInChI=1S/C12H16N4O/c1-9-6-12(17-15-9)10-7-14-16(8-10)11-2-4-13-5-3-11/h6-8,11,13H,2-5H2,1H3
InChIKeyPITRDXBGXXUQET-UHFFFAOYSA-N
XLogP1.77
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
CID 57422420
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 24894145
3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580252
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 57422275
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyridine-4-carboxamide
CID 57450323
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 57945009
(E)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylprop-2-enamide
CID 57422273
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methylbenzamide
CID 57944985
3-cyclohexyl-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580171

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (CID 44580096) is 3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is Cc1cc(-c2cnn(C3CCNCC3)c2)on1.
What is the InChIKey of 3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is PITRDXBGXXUQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-6-12(17-15-9)10-7-14-16(8-10)11-2-4-13-5-3-11/h6-8,11,13H,2-5H2,1H3.
What are the key properties of 3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 232.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 44580096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).