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

C18H19ClN4O — CID 24894145

IUPAC3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESCc1c(-c2cc(-c3ccccc3Cl)no2)cnn1C1CCNCC1
InChIInChI=1S/C18H19ClN4O/c1-12-15(11-21-23(12)13-6-8-20-9-7-13)18-10-17(22-24-18)14-4-2-3-5-16(14)19/h2-5,10-11,13,20H,6-9H2,1H3
InChIKeyQRRFQNFXXUZNAT-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.09
Rot. Bonds3

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

3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (PubChem CID 24894145) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
PubChem CID24894145
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESCc1c(-c2cc(-c3ccccc3Cl)no2)cnn1C1CCNCC1
InChIInChI=1S/C18H19ClN4O/c1-12-15(11-21-23(12)13-6-8-20-9-7-13)18-10-17(22-24-18)14-4-2-3-5-16(14)19/h2-5,10-11,13,20H,6-9H2,1H3
InChIKeyQRRFQNFXXUZNAT-UHFFFAOYSA-N
XLogP4.09
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.09
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-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-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (CID 24894145) is 3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is Cc1c(-c2cc(-c3ccccc3Cl)no2)cnn1C1CCNCC1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is QRRFQNFXXUZNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-12-15(11-21-23(12)13-6-8-20-9-7-13)18-10-17(22-24-18)14-4-2-3-5-16(14)19/h2-5,10-11,13,20H,6-9H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
3-(2-chlorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 342.83 g/mol, XLogP of 4.09, 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-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 24894145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).