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

C16H16N4O2 — CID 53013870

IUPAC2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide
SMILESCCc1nnc(-c2cccn2CC(=O)Nc2ccccc2)o1
InChIInChI=1S/C16H16N4O2/c1-2-15-18-19-16(22-15)13-9-6-10-20(13)11-14(21)17-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,17,21)
InChIKeyDRSHVUUDOSLOTE-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.74
Rot. Bonds5

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

2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide (PubChem CID 53013870) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide
PubChem CID53013870
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide
SMILESCCc1nnc(-c2cccn2CC(=O)Nc2ccccc2)o1
InChIInChI=1S/C16H16N4O2/c1-2-15-18-19-16(22-15)13-9-6-10-20(13)11-14(21)17-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,17,21)
InChIKeyDRSHVUUDOSLOTE-UHFFFAOYSA-N
XLogP2.74
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.74
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-phenylacetamide?
The IUPAC name of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide (CID 53013870) is 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide is CCc1nnc(-c2cccn2CC(=O)Nc2ccccc2)o1.
What is the InChIKey of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide?
The InChIKey is DRSHVUUDOSLOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-15-18-19-16(22-15)13-9-6-10-20(13)11-14(21)17-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,17,21).
What are the key properties of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide?
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide has a molecular weight of 296.33 g/mol, XLogP of 2.74, 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-phenylacetamide is sourced from PubChem (CID 53013870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).