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

C17H15FN4O2 — CID 53114547

IUPAC2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(Cn1cccc1-c1nnc(C2CC2)o1)Nc1cccc(F)c1
InChIInChI=1S/C17H15FN4O2/c18-12-3-1-4-13(9-12)19-15(23)10-22-8-2-5-14(22)17-21-20-16(24-17)11-6-7-11/h1-5,8-9,11H,6-7,10H2,(H,19,23)
InChIKeyGOKPURDWRKERJE-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.19
Rot. Bonds5

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

2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 53114547) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID53114547
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(Cn1cccc1-c1nnc(C2CC2)o1)Nc1cccc(F)c1
InChIInChI=1S/C17H15FN4O2/c18-12-3-1-4-13(9-12)19-15(23)10-22-8-2-5-14(22)17-21-20-16(24-17)11-6-7-11/h1-5,8-9,11H,6-7,10H2,(H,19,23)
InChIKeyGOKPURDWRKERJE-UHFFFAOYSA-N
XLogP3.19
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide (CID 53114547) is 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide is O=C(Cn1cccc1-c1nnc(C2CC2)o1)Nc1cccc(F)c1.
What is the InChIKey of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is GOKPURDWRKERJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-12-3-1-4-13(9-12)19-15(23)10-22-8-2-5-14(22)17-21-20-16(24-17)11-6-7-11/h1-5,8-9,11H,6-7,10H2,(H,19,23).
What are the key properties of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide?
2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 326.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 53114547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).