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

C15H17N3O2 — CID 83174184

IUPAC3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole
SMILESCCCOc1cccc2c1ccn2Cc1nonc1C
InChIInChI=1S/C15H17N3O2/c1-3-9-19-15-6-4-5-14-12(15)7-8-18(14)10-13-11(2)16-20-17-13/h4-8H,3,9-10H2,1-2H3
InChIKeyCHZIEZGJEKENTC-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.17
Rot. Bonds5

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

3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole (PubChem CID 83174184) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole
PubChem CID83174184
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole
SMILESCCCOc1cccc2c1ccn2Cc1nonc1C
InChIInChI=1S/C15H17N3O2/c1-3-9-19-15-6-4-5-14-12(15)7-8-18(14)10-13-11(2)16-20-17-13/h4-8H,3,9-10H2,1-2H3
InChIKeyCHZIEZGJEKENTC-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole (CID 83174184) is 3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole is CCCOc1cccc2c1ccn2Cc1nonc1C.
What is the InChIKey of 3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole?
The InChIKey is CHZIEZGJEKENTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-9-19-15-6-4-5-14-12(15)7-8-18(14)10-13-11(2)16-20-17-13/h4-8H,3,9-10H2,1-2H3.
What are the key properties of 3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole?
3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole has a molecular weight of 271.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 83174184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).