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

C17H17ClN4O — CID 44580252

IUPAC3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESClc1ccccc1-c1cc(-c2cnn(C3CCNCC3)c2)on1
InChIInChI=1S/C17H17ClN4O/c18-15-4-2-1-3-14(15)16-9-17(23-21-16)12-10-20-22(11-12)13-5-7-19-8-6-13/h1-4,9-11,13,19H,5-8H2
InChIKeyZYSDUCLOQUOUSW-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.78
Rot. Bonds3

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

3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (PubChem CID 44580252) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
PubChem CID44580252
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESClc1ccccc1-c1cc(-c2cnn(C3CCNCC3)c2)on1
InChIInChI=1S/C17H17ClN4O/c18-15-4-2-1-3-14(15)16-9-17(23-21-16)12-10-20-22(11-12)13-5-7-19-8-6-13/h1-4,9-11,13,19H,5-8H2
InChIKeyZYSDUCLOQUOUSW-UHFFFAOYSA-N
XLogP3.78
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 674657
3-(2-chlorophenyl)-5-methyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-4-carboxamide
CID 3241026
3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-isoxazolecarboxamide
CID 1225522
N-(1-benzylpyrazol-4-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4451622
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4-isoxazolecarboxamide
CID 1245960
N-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-1-isoxazol-3-yl-N-methylethanamine
CID 16191584
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-(3-chloropyridin-4-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580093
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-chloro-6-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580286

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (CID 44580252) is 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is Clc1ccccc1-c1cc(-c2cnn(C3CCNCC3)c2)on1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is ZYSDUCLOQUOUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-15-4-2-1-3-14(15)16-9-17(23-21-16)12-10-20-22(11-12)13-5-7-19-8-6-13/h1-4,9-11,13,19H,5-8H2.
What are the key properties of 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 328.80 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 44580252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).