2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole

C19H22ClN5O3S — CID 112813640

IUPAC2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nn(Cc2nnc(-c3ccccc3Cl)o2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H22ClN5O3S/c1-13-18(29(26,27)24-10-6-3-7-11-24)14(2)25(23-13)12-17-21-22-19(28-17)15-8-4-5-9-16(15)20/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyKZAJQCPOWKYBEL-UHFFFAOYSA-N
MW435.94 g/mol
LogP3.43
Rot. Bonds5

About 2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 112813640) has the molecular formula C19H22ClN5O3S and a molecular weight of 435.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID112813640
Molecular FormulaC19H22ClN5O3S
Molecular Weight435.94 g/mol
Exact Mass435.11
IUPAC Name2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nn(Cc2nnc(-c3ccccc3Cl)o2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H22ClN5O3S/c1-13-18(29(26,27)24-10-6-3-7-11-24)14(2)25(23-13)12-17-21-22-19(28-17)15-8-4-5-9-16(15)20/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyKZAJQCPOWKYBEL-UHFFFAOYSA-N
XLogP3.43
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 32792520
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2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 53097974
2-(2-chlorophenyl)-5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazole
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N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-piperidin-1-ylsulfonylaniline
CID 112796538
1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
CID 78827823
1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine
CID 9184151
2-(2-chlorophenyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 33464198
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide
CID 95094259
2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 18088347
[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 53078717
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole (CID 112813640) is 2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole is Cc1nn(Cc2nnc(-c3ccccc3Cl)o2)c(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is KZAJQCPOWKYBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O3S/c1-13-18(29(26,27)24-10-6-3-7-11-24)14(2)25(23-13)12-17-21-22-19(28-17)15-8-4-5-9-16(15)20/h4-5,8-9H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 435.94 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 112813640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).