2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide

C17H18N4O2 — CID 26842288

IUPAC2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1c(-c2nnc(CC)o2)cc2ccccc21
InChIInChI=1S/C17H18N4O2/c1-3-9-18-15(22)11-21-13-8-6-5-7-12(13)10-14(21)17-20-19-16(4-2)23-17/h3,5-8,10H,1,4,9,11H2,2H3,(H,18,22)
InChIKeyZXJUURRLWVNEMP-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.56
Rot. Bonds6

About 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide

2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide (PubChem CID 26842288) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide
PubChem CID26842288
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1c(-c2nnc(CC)o2)cc2ccccc21
InChIInChI=1S/C17H18N4O2/c1-3-9-18-15(22)11-21-13-8-6-5-7-12(13)10-14(21)17-20-19-16(4-2)23-17/h3,5-8,10H,1,4,9,11H2,2H3,(H,18,22)
InChIKeyZXJUURRLWVNEMP-UHFFFAOYSA-N
XLogP2.56
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide (CID 26842288) is 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)Cn1c(-c2nnc(CC)o2)cc2ccccc21.
What is the InChIKey of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide?
The InChIKey is ZXJUURRLWVNEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-9-18-15(22)11-21-13-8-6-5-7-12(13)10-14(21)17-20-19-16(4-2)23-17/h3,5-8,10H,1,4,9,11H2,2H3,(H,18,22).
What are the key properties of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide?
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide has a molecular weight of 310.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 26842288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).