2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide

C18H20N4O2 — CID 53114514

IUPAC2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)Nc2ccccc2CC)o1
InChIInChI=1S/C18H20N4O2/c1-3-13-8-5-6-9-14(13)19-16(23)12-22-11-7-10-15(22)18-21-20-17(4-2)24-18/h5-11H,3-4,12H2,1-2H3,(H,19,23)
InChIKeyLJIQJMBLNZHWCV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.30
Rot. Bonds6

About 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide

2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 53114514) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID53114514
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)Nc2ccccc2CC)o1
InChIInChI=1S/C18H20N4O2/c1-3-13-8-5-6-9-14(13)19-16(23)12-22-11-7-10-15(22)18-21-20-17(4-2)24-18/h5-11H,3-4,12H2,1-2H3,(H,19,23)
InChIKeyLJIQJMBLNZHWCV-UHFFFAOYSA-N
XLogP3.30
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide (CID 53114514) is 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide is CCc1nnc(-c2cccn2CC(=O)Nc2ccccc2CC)o1.
What is the InChIKey of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is LJIQJMBLNZHWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-13-8-5-6-9-14(13)19-16(23)12-22-11-7-10-15(22)18-21-20-17(4-2)24-18/h5-11H,3-4,12H2,1-2H3,(H,19,23).
What are the key properties of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide?
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.30, 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)pyrrol-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 53114514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).