5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole

C19H22ClN5O — CID 136529623

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESCc1nn(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)c(C)c1Cl
InChIInChI=1S/C19H22ClN5O/c1-13-18(20)14(2)25(22-13)12-17-21-19(23-26-17)15-6-8-16(9-7-15)24-10-4-3-5-11-24/h6-9H,3-5,10-12H2,1-2H3
InChIKeyRHLVVFRARHTZCJ-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.24
Rot. Bonds4

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 136529623) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID136529623
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESCc1nn(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)c(C)c1Cl
InChIInChI=1S/C19H22ClN5O/c1-13-18(20)14(2)25(22-13)12-17-21-19(23-26-17)15-6-8-16(9-7-15)24-10-4-3-5-11-24/h6-9H,3-5,10-12H2,1-2H3
InChIKeyRHLVVFRARHTZCJ-UHFFFAOYSA-N
XLogP4.24
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 19324521
5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769641
3-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015572
3-[(2S)-azepan-2-yl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 97345804
3-(4-chlorophenyl)-5-[[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 42101265
4-[[3-[4-(azepan-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,4-benzoxazin-3-one
CID 53059223
2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120841607
2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
CID 167862827
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 46973139
5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769361
3-(4-methylsulfanylphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 46859002
5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3394509

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole (CID 136529623) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole is Cc1nn(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)c(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is RHLVVFRARHTZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-13-18(20)14(2)25(22-13)12-17-21-19(23-26-17)15-6-8-16(9-7-15)24-10-4-3-5-11-24/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 371.87 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 136529623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).