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

C16H16ClN5O — CID 44580093

IUPAC3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESClc1cnccc1-c1cc(-c2cnn(C3CCNCC3)c2)on1
InChIInChI=1S/C16H16ClN5O/c17-14-9-19-6-3-13(14)15-7-16(23-21-15)11-8-20-22(10-11)12-1-4-18-5-2-12/h3,6-10,12,18H,1-2,4-5H2
InChIKeyAMFFCGIXMCGPIX-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.18
Rot. Bonds3

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

3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (PubChem CID 44580093) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
PubChem CID44580093
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESClc1cnccc1-c1cc(-c2cnn(C3CCNCC3)c2)on1
InChIInChI=1S/C16H16ClN5O/c17-14-9-19-6-3-13(14)15-7-16(23-21-15)11-8-20-22(10-11)12-1-4-18-5-2-12/h3,6-10,12,18H,1-2,4-5H2
InChIKeyAMFFCGIXMCGPIX-UHFFFAOYSA-N
XLogP3.18
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 24894145
3-(2-chloro-3-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580092
3-(2-chlorothiophen-3-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580094
3-(2,6-dichlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580095
3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580252
3-(2-chloro-6-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580286
3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580287
3-(2-chloro-5-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580288
3-(2-chloro-4-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580289
3-cyclohexyl-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580171
5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)-3-phenylisoxazole
CID 44580285
US11472802, Example 43
CID 139331435

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (CID 44580093) is 3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is Clc1cnccc1-c1cc(-c2cnn(C3CCNCC3)c2)on1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is AMFFCGIXMCGPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c17-14-9-19-6-3-13(14)15-7-16(23-21-15)11-8-20-22(10-11)12-1-4-18-5-2-12/h3,6-10,12,18H,1-2,4-5H2.
What are the key properties of 3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 329.79 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 44580093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).