5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole

C15H17N3O2 — CID 83174607

IUPAC5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCOc1cccc2c1ccn2Cc1nc(CC)no1
InChIInChI=1S/C15H17N3O2/c1-3-14-16-15(20-17-14)10-18-9-8-11-12(18)6-5-7-13(11)19-4-2/h5-9H,3-4,10H2,1-2H3
InChIKeyYZDJEKBEJRGPDA-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.03
Rot. Bonds5

About 5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole

5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 83174607) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID83174607
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCOc1cccc2c1ccn2Cc1nc(CC)no1
InChIInChI=1S/C15H17N3O2/c1-3-14-16-15(20-17-14)10-18-9-8-11-12(18)6-5-7-13(11)19-4-2/h5-9H,3-4,10H2,1-2H3
InChIKeyYZDJEKBEJRGPDA-UHFFFAOYSA-N
XLogP3.03
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole (CID 83174607) is 5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole is CCOc1cccc2c1ccn2Cc1nc(CC)no1.
What is the InChIKey of 5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is YZDJEKBEJRGPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-14-16-15(20-17-14)10-18-9-8-11-12(18)6-5-7-13(11)19-4-2/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole?
5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 271.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 83174607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).