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

C17H18ClN5O — CID 86773367

IUPAC3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(CN2CCC(c3cn[nH]c3)CC2)n1
InChIInChI=1S/C17H18ClN5O/c18-15-4-2-1-3-14(15)17-21-16(24-22-17)11-23-7-5-12(6-8-23)13-9-19-20-10-13/h1-4,9-10,12H,5-8,11H2,(H,19,20)
InChIKeyRUWCQQLFLLJCHJ-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.49
Rot. Bonds4

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

3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 86773367) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID86773367
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(CN2CCC(c3cn[nH]c3)CC2)n1
InChIInChI=1S/C17H18ClN5O/c18-15-4-2-1-3-14(15)17-21-16(24-22-17)11-23-7-5-12(6-8-23)13-9-19-20-10-13/h1-4,9-10,12H,5-8,11H2,(H,19,20)
InChIKeyRUWCQQLFLLJCHJ-UHFFFAOYSA-N
XLogP3.49
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(2-chlorophenyl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 137458185
3-benzyl-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773469
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541544
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62371397
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62061668
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 65250028
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 38153483
3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 78845832
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38154883
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 43927928
(4-benzylpiperidin-1-yl)-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38153660
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43933638

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 86773367) is 3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is Clc1ccccc1-c1noc(CN2CCC(c3cn[nH]c3)CC2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is RUWCQQLFLLJCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c18-15-4-2-1-3-14(15)17-21-16(24-22-17)11-23-7-5-12(6-8-23)13-9-19-20-10-13/h1-4,9-10,12H,5-8,11H2,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 343.82 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86773367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).