3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

C15H16N4O — CID 72937186

IUPAC3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESCCCc1noc(-c2cccc(Cn3cccn3)c2)n1
InChIInChI=1S/C15H16N4O/c1-2-5-14-17-15(20-18-14)13-7-3-6-12(10-13)11-19-9-4-8-16-19/h3-4,6-10H,2,5,11H2,1H3
InChIKeyWEEYWNWJBBDAGE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.93
Rot. Bonds5

About 3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 72937186) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
PubChem CID72937186
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESCCCc1noc(-c2cccc(Cn3cccn3)c2)n1
InChIInChI=1S/C15H16N4O/c1-2-5-14-17-15(20-18-14)13-7-3-6-12(10-13)11-19-9-4-8-16-19/h3-4,6-10H,2,5,11H2,1H3
InChIKeyWEEYWNWJBBDAGE-UHFFFAOYSA-N
XLogP2.93
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111906343
3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 97438197
1-[5-[3-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868765
5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole
CID 130708265
(1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
CID 97231350
1-butyl-3-ethyl-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
CID 111150918
2-methyl-1-(2-methylpropyl)-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
CID 111179144
1-butyl-3-ethyl-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine;hydroiodide
CID 111150917
1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
CID 111179665
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39697430
1-[(4-fluorophenyl)methyl]-2-methyl-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine;hydroiodide
CID 111233130
(7R,8aS)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 124856419

Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 72937186) is 3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is CCCc1noc(-c2cccc(Cn3cccn3)c2)n1.
What is the InChIKey of 3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is WEEYWNWJBBDAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-5-14-17-15(20-18-14)13-7-3-6-12(10-13)11-19-9-4-8-16-19/h3-4,6-10H,2,5,11H2,1H3.
What are the key properties of 3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 268.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72937186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).