2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C17H18N4O3 — CID 16836179

IUPAC2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(-c2nnco2)cc2ccccc21)NCC1CCCO1
InChIInChI=1S/C17H18N4O3/c22-16(18-9-13-5-3-7-23-13)10-21-14-6-2-1-4-12(14)8-15(21)17-20-19-11-24-17/h1-2,4,6,8,11,13H,3,5,7,9-10H2,(H,18,22)
InChIKeyNBUZBLXQJLOJOI-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.99
Rot. Bonds5

About 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16836179) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID16836179
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(-c2nnco2)cc2ccccc21)NCC1CCCO1
InChIInChI=1S/C17H18N4O3/c22-16(18-9-13-5-3-7-23-13)10-21-14-6-2-1-4-12(14)8-15(21)17-20-19-11-24-17/h1-2,4,6,8,11,13H,3,5,7,9-10H2,(H,18,22)
InChIKeyNBUZBLXQJLOJOI-UHFFFAOYSA-N
XLogP1.99
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 16836179) is 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1c(-c2nnco2)cc2ccccc21)NCC1CCCO1.
What is the InChIKey of 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is NBUZBLXQJLOJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-16(18-9-13-5-3-7-23-13)10-21-14-6-2-1-4-12(14)8-15(21)17-20-19-11-24-17/h1-2,4,6,8,11,13H,3,5,7,9-10H2,(H,18,22).
What are the key properties of 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16836179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).