3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole

C19H21N5O — CID 167851239

IUPAC3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCn1cc(-c2ccccc2-c2nc(C3CC4CCC(C3)N4)no2)cn1
InChIInChI=1S/C19H21N5O/c1-24-11-13(10-20-24)16-4-2-3-5-17(16)19-22-18(23-25-19)12-8-14-6-7-15(9-12)21-14/h2-5,10-12,14-15,21H,6-9H2,1H3
InChIKeyWWOLFUPDECSVCO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.14
Rot. Bonds3

About 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole

3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 167851239) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole
PubChem CID167851239
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCn1cc(-c2ccccc2-c2nc(C3CC4CCC(C3)N4)no2)cn1
InChIInChI=1S/C19H21N5O/c1-24-11-13(10-20-24)16-4-2-3-5-17(16)19-22-18(23-25-19)12-8-14-6-7-15(9-12)21-14/h2-5,10-12,14-15,21H,6-9H2,1H3
InChIKeyWWOLFUPDECSVCO-UHFFFAOYSA-N
XLogP3.14
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024578
2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65196544
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 79609646
2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 112707854
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole
CID 154867755
[2-(1-methylpyrazol-4-yl)phenyl]phosphane
CID 166648081
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-methylpyrazol-5-amine
CID 54939679
2-chloro-6-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050902
2-bromo-6-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113320
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013

Frequently Asked Questions

What is the IUPAC name of 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole (CID 167851239) is 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole is Cn1cc(-c2ccccc2-c2nc(C3CC4CCC(C3)N4)no2)cn1.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is WWOLFUPDECSVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24-11-13(10-20-24)16-4-2-3-5-17(16)19-22-18(23-25-19)12-8-14-6-7-15(9-12)21-14/h2-5,10-12,14-15,21H,6-9H2,1H3.
What are the key properties of 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole?
3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167851239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).