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

C16H15FN4O2 — CID 53114516

IUPAC2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)Nc2ccc(F)cc2)o1
InChIInChI=1S/C16H15FN4O2/c1-2-15-19-20-16(23-15)13-4-3-9-21(13)10-14(22)18-12-7-5-11(17)6-8-12/h3-9H,2,10H2,1H3,(H,18,22)
InChIKeyZJXRHWKIQRZGRI-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.88
Rot. Bonds5

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

2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 53114516) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID53114516
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)Nc2ccc(F)cc2)o1
InChIInChI=1S/C16H15FN4O2/c1-2-15-19-20-16(23-15)13-4-3-9-21(13)10-14(22)18-12-7-5-11(17)6-8-12/h3-9H,2,10H2,1H3,(H,18,22)
InChIKeyZJXRHWKIQRZGRI-UHFFFAOYSA-N
XLogP2.88
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.88
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-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-fluorophenyl)acetamide (CID 53114516) is 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-fluorophenyl)acetamide is CCc1nnc(-c2cccn2CC(=O)Nc2ccc(F)cc2)o1.
What is the InChIKey of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is ZJXRHWKIQRZGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-2-15-19-20-16(23-15)13-4-3-9-21(13)10-14(22)18-12-7-5-11(17)6-8-12/h3-9H,2,10H2,1H3,(H,18,22).
What are the key properties of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 314.32 g/mol, XLogP of 2.88, 5 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53114516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).