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

C19H20N4O3 — CID 53114575

IUPAC2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1cccc1-c1nnc(C2CC2)o1
InChIInChI=1S/C19H20N4O3/c1-2-25-16-8-4-3-6-14(16)20-17(24)12-23-11-5-7-15(23)19-22-21-18(26-19)13-9-10-13/h3-8,11,13H,2,9-10,12H2,1H3,(H,20,24)
InChIKeySDYZXSSOYPDDHS-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.45
Rot. Bonds7

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

2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 53114575) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID53114575
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1cccc1-c1nnc(C2CC2)o1
InChIInChI=1S/C19H20N4O3/c1-2-25-16-8-4-3-6-14(16)20-17(24)12-23-11-5-7-15(23)19-22-21-18(26-19)13-9-10-13/h3-8,11,13H,2,9-10,12H2,1H3,(H,20,24)
InChIKeySDYZXSSOYPDDHS-UHFFFAOYSA-N
XLogP3.45
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide (CID 53114575) is 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1cccc1-c1nnc(C2CC2)o1.
What is the InChIKey of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is SDYZXSSOYPDDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-2-25-16-8-4-3-6-14(16)20-17(24)12-23-11-5-7-15(23)19-22-21-18(26-19)13-9-10-13/h3-8,11,13H,2,9-10,12H2,1H3,(H,20,24).
What are the key properties of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide?
2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 53114575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).