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

C16H14F2N4O2 — CID 53114511

IUPACN-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)Nc2ccc(F)cc2F)o1
InChIInChI=1S/C16H14F2N4O2/c1-2-15-20-21-16(24-15)13-4-3-7-22(13)9-14(23)19-12-6-5-10(17)8-11(12)18/h3-8H,2,9H2,1H3,(H,19,23)
InChIKeyXRJXAGODIAVFPX-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.02
Rot. Bonds5

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

N-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53114511) has the molecular formula C16H14F2N4O2 and a molecular weight of 332.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53114511
Molecular FormulaC16H14F2N4O2
Molecular Weight332.31 g/mol
Exact Mass332.11
IUPAC NameN-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)Nc2ccc(F)cc2F)o1
InChIInChI=1S/C16H14F2N4O2/c1-2-15-20-21-16(24-15)13-4-3-7-22(13)9-14(23)19-12-6-5-10(17)8-11(12)18/h3-8H,2,9H2,1H3,(H,19,23)
InChIKeyXRJXAGODIAVFPX-UHFFFAOYSA-N
XLogP3.02
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (CID 53114511) is N-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is CCc1nnc(-c2cccn2CC(=O)Nc2ccc(F)cc2F)o1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is XRJXAGODIAVFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2/c1-2-15-20-21-16(24-15)13-4-3-7-22(13)9-14(23)19-12-6-5-10(17)8-11(12)18/h3-8H,2,9H2,1H3,(H,19,23).
What are the key properties of N-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
N-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 332.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53114511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).