N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

C25H25ClN6O2 — CID 20931840

IUPACN-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C25H25ClN6O2/c1-17-22(16-32(29-17)21-9-7-19(26)8-10-21)23-28-25(34-30-23)24(33)27-20-11-13-31(14-12-20)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,27,33)
InChIKeyBYWNIBRATPCKOA-UHFFFAOYSA-N
MW476.97 g/mol
LogP4.28
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 20931840) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID20931840
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C25H25ClN6O2/c1-17-22(16-32(29-17)21-9-7-19(26)8-10-21)23-28-25(34-30-23)24(33)27-20-11-13-31(14-12-20)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,27,33)
InChIKeyBYWNIBRATPCKOA-UHFFFAOYSA-N
XLogP4.28
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 20931695
N-benzyl-3-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 20931806
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501
N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53008425
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide
CID 46438180
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 47084312
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
3-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 20931812

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide (CID 20931840) is N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide is Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is BYWNIBRATPCKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-17-22(16-32(29-17)21-9-7-19(26)8-10-21)23-28-25(34-30-23)24(33)27-20-11-13-31(14-12-20)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,27,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 476.97 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 20931840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).