5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole

C14H13N3O2 — CID 102847040

IUPAC5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole
SMILESCCc1nc(COc2cnc3ccccc3c2)no1
InChIInChI=1S/C14H13N3O2/c1-2-14-16-13(17-19-14)9-18-11-7-10-5-3-4-6-12(10)15-8-11/h3-8H,2,9H2,1H3
InChIKeyRHFJYKLZLDLAIU-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.76
Rot. Bonds4

About 5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole

5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 102847040) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole
PubChem CID102847040
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole
SMILESCCc1nc(COc2cnc3ccccc3c2)no1
InChIInChI=1S/C14H13N3O2/c1-2-14-16-13(17-19-14)9-18-11-7-10-5-3-4-6-12(10)15-8-11/h3-8H,2,9H2,1H3
InChIKeyRHFJYKLZLDLAIU-UHFFFAOYSA-N
XLogP2.76
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole (CID 102847040) is 5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole is CCc1nc(COc2cnc3ccccc3c2)no1.
What is the InChIKey of 5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is RHFJYKLZLDLAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-14-16-13(17-19-14)9-18-11-7-10-5-3-4-6-12(10)15-8-11/h3-8H,2,9H2,1H3.
What are the key properties of 5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole?
5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 255.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 102847040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).