2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole

C15H13N3O — CID 40693763

IUPAC2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole
SMILESC#CCn1c(-c2nnc(CC)o2)cc2ccccc21
InChIInChI=1S/C15H13N3O/c1-3-9-18-12-8-6-5-7-11(12)10-13(18)15-17-16-14(4-2)19-15/h1,5-8,10H,4,9H2,2H3
InChIKeyFHUIAYZJLXJXRM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.89
Rot. Bonds3

About 2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole

2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole (PubChem CID 40693763) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole
PubChem CID40693763
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole
SMILESC#CCn1c(-c2nnc(CC)o2)cc2ccccc21
InChIInChI=1S/C15H13N3O/c1-3-9-18-12-8-6-5-7-11(12)10-13(18)15-17-16-14(4-2)19-15/h1,5-8,10H,4,9H2,2H3
InChIKeyFHUIAYZJLXJXRM-UHFFFAOYSA-N
XLogP2.89
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole (CID 40693763) is 2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole is C#CCn1c(-c2nnc(CC)o2)cc2ccccc21.
What is the InChIKey of 2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole?
The InChIKey is FHUIAYZJLXJXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-3-9-18-12-8-6-5-7-11(12)10-13(18)15-17-16-14(4-2)19-15/h1,5-8,10H,4,9H2,2H3.
What are the key properties of 2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole?
2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole has a molecular weight of 251.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 40693763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).