5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole

C17H15N5O — CID 100618540

IUPAC5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole
SMILESCCn1nccc1-c1nc(Cc2cccc3cccnc23)no1
InChIInChI=1S/C17H15N5O/c1-2-22-14(8-10-19-22)17-20-15(21-23-17)11-13-6-3-5-12-7-4-9-18-16(12)13/h3-10H,2,11H2,1H3
InChIKeyXLYVOFOLDRJLAM-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.09
Rot. Bonds4

About 5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole

5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole (PubChem CID 100618540) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole
PubChem CID100618540
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole
SMILESCCn1nccc1-c1nc(Cc2cccc3cccnc23)no1
InChIInChI=1S/C17H15N5O/c1-2-22-14(8-10-19-22)17-20-15(21-23-17)11-13-6-3-5-12-7-4-9-18-16(12)13/h3-10H,2,11H2,1H3
InChIKeyXLYVOFOLDRJLAM-UHFFFAOYSA-N
XLogP3.09
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole
CID 119050129
3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 56811286
1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine
CID 62876085
(2-ethylpyrazol-3-yl)-quinolin-8-ylmethanamine
CID 105148379
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742960
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
3-ethyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91906883
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843
8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
CID 63926675
5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138557

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole (CID 100618540) is 5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole is CCn1nccc1-c1nc(Cc2cccc3cccnc23)no1.
What is the InChIKey of 5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is XLYVOFOLDRJLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-2-22-14(8-10-19-22)17-20-15(21-23-17)11-13-6-3-5-12-7-4-9-18-16(12)13/h3-10H,2,11H2,1H3.
What are the key properties of 5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole?
5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 305.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 100618540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).