3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole

C20H19N5O — CID 120841250

IUPAC3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(-c3noc(-c4ccn(C5CCCNC5)n4)n3)cccc2c1
InChIInChI=1S/C20H19N5O/c1-2-8-16-14(5-1)6-3-9-17(16)19-22-20(26-24-19)18-10-12-25(23-18)15-7-4-11-21-13-15/h1-3,5-6,8-10,12,15,21H,4,7,11,13H2
InChIKeyYGQHNDWVRKEHMS-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.68
Rot. Bonds3

About 3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole

3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 120841250) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID120841250
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(-c3noc(-c4ccn(C5CCCNC5)n4)n3)cccc2c1
InChIInChI=1S/C20H19N5O/c1-2-8-16-14(5-1)6-3-9-17(16)19-22-20(26-24-19)18-10-12-25(23-18)15-7-4-11-21-13-15/h1-3,5-6,8-10,12,15,21H,4,7,11,13H2
InChIKeyYGQHNDWVRKEHMS-UHFFFAOYSA-N
XLogP3.68
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893788
3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120836378
3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120893864
3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841635
N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120835209
3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120838813
methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 120842283
3-naphthalen-1-yl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 62716048
3-naphthalen-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832593
2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 62716226
3-(2-methylphenyl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 94540047
3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120833998

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole (CID 120841250) is 3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole is c1ccc2c(-c3noc(-c4ccn(C5CCCNC5)n4)n3)cccc2c1.
What is the InChIKey of 3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is YGQHNDWVRKEHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-8-16-14(5-1)6-3-9-17(16)19-22-20(26-24-19)18-10-12-25(23-18)15-7-4-11-21-13-15/h1-3,5-6,8-10,12,15,21H,4,7,11,13H2.
What are the key properties of 3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 345.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120841250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).